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Section 52

EurekaMag Full Text Articles Chapter 51,301



References:

Law, M.J.; Lower, K.M.; Voon, H.P.J.; Hughes, J.R.; Garrick, D.; Viprakasit, V.; Mitson, M.; De Gobbi, M.; Marra, M.; Morris, A.; Abbott, A.; Wilder, S.P.; Taylor, S.; Santos, G.M.; Cross, J.; Ayyub, H.; Jones, S.; Ragoussis, J.; Rhodes, D.; Dunham, I.; Higgs, D.R.; Gibbons, R.J. 2010: ATR-X syndrome protein targets tandem repeats and influences allele-specific expression in a size-dependent manner. Cell 143(3): 367-378
Im, J.-S.; Lee, J.-K. 2008: ATR-dependent activation of p38 MAP kinase is responsible for apoptotic cell death in cells depleted of Cdc7. Journal of Biological Chemistry 283(37): 25171-25177
Collins, N.B.; Wilson, J.B.; Bush, T.; Thomashevski, A.; Roberts, K.J.; Jones, N.J.; Kupfer, G.M. 2009: ATR-dependent phosphorylation of FANCA on serine 1449 after DNA damage is important for FA pathway function. Blood 113(10): 2181-2190
Singh, T.R.; Ali, A.M.; Paramasivam, M.; Pradhan, A.; Wahengbam, K.; Seidman, M.M.; Meetei, A.R. 2013: ATR-dependent phosphorylation of FANCM at serine 1045 is essential for FANCM functions. Cancer Research 73(14): 4300-4310
Rodriguez, J.; Tsukiyama, T. 2013: ATR-like kinase Mec1 facilitates both chromatin accessibility at DNA replication forks and replication fork progression during replication stress. Genes and Development 27(1): 74-86
Göhler, T.; Sabbioneda, S.; Green, C.M.; Lehmann, A.R. 2011: ATR-mediated phosphorylation of DNA polymerase η is needed for efficient recovery from UV damage. Journal of Cell Biology 192(2): 219-227
Sirbu, B.M.; Lachmayer, S.J.; Wülfing, V.; Marten, L.M.; Clarkson, K.E.; Lee, L.W.; Gheorghiu, L.; Zou, L.; Powell, S.N.; Dahm-Daphi, J.; Willers, H. 2011: ATR-p53 restricts homologous recombination in response to replicative stress but does not limit DNA interstrand crosslink repair in lung cancer cells. Plos one 6(8): E23053
Despras, E.; Daboussi, F.; Hyrien, O.; Marheineke, K.; Kannouche, P.L. 2010: ATR/Chk1 pathway is essential for resumption of DNA synthesis and cell survival in UV-irradiated XP variant cells. Human Molecular Genetics 19(9): 1690-1701
Blitzblau, H.G.; Hochwagen, A. 2013: ATR/Mec1 prevents lethal meiotic recombination initiation on partially replicated chromosomes in budding yeast. Elife 2: E00844
Friedel, A.M.; Pike, B.L.; Gasser, S.M. 2009: ATR/Mec1: coordinating fork stability and repair. Current Opinion in Cell Biology 21(2): 237-244
Fini, A.; Ospitali, F.; Zoppetti, G.; Puppini, N. 2008: ATR/Raman and fractal characterization of HPBCD/progesterone complex solid particles. Pharmaceutical Research 25(9): 2030-2040
Smirnova, M.D.; Fofanova, T.V.; Khasanova, Z.B.; Ovchinnikov, A.G.; Ageev, F.T.; Postnov, A.I. 2010: ATR1 gene polymorphism in patients with hypertrophic cardiomyopathy and hypertensive heart. Kardiologiia 50(2): 41-44
Varadarajan, J.; Guilleminot, J.; Saint-Jore-Dupas, C.; Piégu, B.ît.; Chabouté, M.-E.; Gomord, V.ér.; Coolbaugh, R.C.; Devic, M.; Delorme, V.ér. 2010: ATR3 encodes a diflavin reductase essential for Arabidopsis embryo development. New Phytologist 187(1): 67-82
Flynn, R.L.; Zou, L. 2011: ATR: a master conductor of cellular responses to DNA replication stress. Trends in Biochemical Sciences 36(3): 133-140
Breccia, M.; Cicconi, L.; Lo-Coco, F. 2014: ATRA + ATO: has a new standard of care been established in low-risk acute promyelocytic leukaemia?. Current Opinion in Hematology 21(2): 95-101
Sharma, M.; Dass, J.; Tyagi, S. 2011: ATRA Induced Reactive Hemophagocytosis: a Case Report. Mediterranean Journal of Hematology and Infectious Diseases 3(1): E2011034
Yu, K.; Zheng, B.; Han, M.; Wen, J.-k. 2011: ATRA activates and PDGF-BB represses the SM22α promoter through KLF4 binding to, or dissociating from, its cis-DNA elements. Cardiovascular Research 90(3): 464-474
Xie, X.; Mu, L.; Yao, X.; Li, N.; Sun, B.; Li, Y.; Zhan, X.; Wang, X.; Kang, X.; Wang, J.; Liu, Y.; Zhang, Y.; Wang, G.; Wang, D.; Liu, X.; Kong, Q.; Li, H. 2013: ATRA alters humoral responses associated with amelioration of EAMG symptoms by balancing Tfh/Tfr helper cell profiles. Clinical Immunology 148(2): 162-176
Pellegrini, M.; Filipponi, D.; Gori, M.; Barrios, F.; Lolicato, F.; Grimaldi, P.; Rossi, P.; Jannini, E.A.; Geremia, R.; Dolci, S. 2008: ATRA and KL promote differentiation toward the meiotic program of male germ cells. Cell Cycle 7(24): 3878-3888
Jeddi, R.; Ghédira, H.èl.à; Ben Abdennebi, Y.; Kacem, K.; Ben Amor, R.; Aissaoui, L.; Bouterâa, W.; Ben Lakhal, R.; Ben Abid, H.èl.; Menif, S.; Belhadjali, Z.; Meddeb, B. 2011: ATRA and anthracycline-based chemotherapy in the treatment of childhood acute promyelocytic leukemia (APL): a 10-year experience in Tunisia. Medical Oncology 28(4): 1618-1623
Chen, W.; Yan, C.; Hou, J.; Pu, J.; Ouyang, J.; Wen, D. 2008: ATRA enhances bystander effect of suicide gene therapy in the treatment of prostate cancer. Urologic Oncology 26(4): 397-405
Yang, J.; Liu, T.-J.; Jiang, Y.-X.; Lu, Y. 2012: ATRA enhances the bystander effect of suicide gene therapy driven by the specific promoter LEP 503 in human lens epithelial cells. Molecular Vision 18: 2053-2066
Murakami, M.; Ito, H.; Hagiwara, K.; Yoshida, K.; Sobue, S.; Ichihara, M.; Takagi, A.; Kojima, T.; Tanaka, K.; Tamiya-Koizumi, K.; Kyogashima, M.; Suzuki, M.; Banno, Y.; Nozawa, Y.; Murate, T. 2010: ATRA inhibits ceramide kinase transcription in a human neuroblastoma cell line, SH-SY5Y cells: the role of COUP-TFi. Journal of Neurochemistry 112(2): 511-520
Liu, Z.; Ren, G.; Shangguan, C.; Guo, L.; Dong, Z.; Li, Y.; Zhang, W.; Zhao, L.; Hou, P.; Zhang, Y.; Wang, X.; Lu, J.; Huang, B. 2012: ATRA inhibits the proliferation of DU145 prostate cancer cells through reducing the methylation level of HOXB13 gene. Plos one 7(7): E40943
Song, X.; Gong, S.; Chen, J.; Gao, L.; Yang, J.; Wang, J. 2010: ATRA is effective to an acute promyelocytic leukemia patient without RARA gene rearrangement. Leukemia Research 34(8): E190-E193
Park, J.H. 2012: ATRA plus arsenic gets another "A" in APL. Blood 120(8): 1535-1536
Congleton, J.; Jiang, H.; Malavasi, F.; Lin, H.; Yen, A. 2011: ATRA-induced HL-60 myeloid leukemia cell differentiation depends on the CD38 cytosolic tail needed for membrane localization, but CD38 enzymatic activity is unnecessary. Experimental Cell Research 317(7): 910-919
Wang, Z.; Liu, Z.; Wu, X.; Chu, S.; Wang, J.; Yuan, H.; Roth, M.; Yuan, Y.-C.; Bhatia, R.; Chen, W. 2014: ATRA-induced cellular differentiation and CD38 expression inhibits acquisition of BCR-ABL mutations for CML acquired resistance. Plos Genetics 10(6): E1004414
Lee, K.R.; Subrayan, V.; Win, M.M.; Fadhilah Mohamad, N.; Patel, D. 2014: ATRA-induced cerebral sinus thrombosis. Journal of Thrombosis and Thrombolysis 38(1): 87-89
Trocoli, A.; Mathieu, J.; Priault, M.; Reiffers, J.; Souquère, S.; Pierron, G.ér.; Besançon, F.ço.; Djavaheri-Mergny, M. 2011: ATRA-induced upregulation of Beclin 1 prolongs the life span of differentiated acute promyelocytic leukemia cells. Autophagy 7(10): 1108-1114
Lu, J.; Zhang, F.; Zhao, D.; Hong, L.; Min, J.; Zhang, L.; Li, F.; Yan, Y.; Li, H.; Ma, Y.; Li, Q. 2008: ATRA-inhibited proliferation in glioma cells is associated with subcellular redistribution of beta-catenin via up-regulation of Axin. Journal of Neuro-Oncology 87(3): 271-277
Xu, Y.-j.; Leffak, M. 2010: ATRIP from TopBP1 to ATR--in vitro activation of a DNA damage checkpoint. Proceedings of the National Academy of Sciences of the United States of America 107(31): 13561-13562
Wang, Z.; McPeek, M.Sara. 2009: ATRIUM: testing untyped SNPs in case-control association studies with related individuals. American Journal of Human Genetics 85(5): 667-678
Chen, Y.; Caldwell, J.M.; Pereira, E.; Baker, R.W.; Sanchez, Y. 2009: ATRMec1 phosphorylation-independent activation of Chk1 in vivo. Journal of Biological Chemistry 284(1): 182-190
Anonymous 1946: ATROPHIC vaginitis. Pharmacal advance 1946(170): 7
Zettlitz, K.A.; Lorenz, V.; Landauer, K.; Münkel, S.; Herrmann, A.; Scheurich, P.; Pfizenmaier, K.; Kontermann, R. 2010: ATROSAB, a humanized antagonistic anti-tumor necrosis factor receptor one-specific antibody. Mabs 2(6): 639-647
Venkataraman, S.; Wooley, K.L. 2006: ATRP from an amino acid-based initiator: a facile approach for α-functionalized polymers. Macromolecules 39(26): 9661-9664
Siegwart, D.J.; Oh, J.K.; Matyjaszewski, K. 2012: ATRP in the design of functional materials for biomedical applications. Progress in Polymer Science 37(1): 18-37
Yu, X.; Yang, X.; Horte, S.; Kizhakkedathu, J.N.; Brooks, D.E. 2013: ATRP synthesis of poly(2-(methacryloyloxy)ethyl choline phosphate): a multivalent universal biomembrane adhesive. Chemical Communications 49(61): 6831-6833
De Graaf, A.J.; Mastrobattista, E.; van Nostrum, C.F.; Rijkers, D.T.S.; Hennink, W.E.; Vermonden, T. 2011: ATRP, subsequent azide substitution and 'click' chemistry: three reactions using one catalyst in one pot. Chemical Communications 47(24): 6972-6974
Mertz, D.; Ochs, C.J.; Zhu, Z.; Lee, L.; Guntari, S.N.; Such, G.K.; Goh, T.K.; Connal, L.A.; Blencowe, A.; Qiao, G.G.; Caruso, F. 2011: ATRP-mediated continuous assembly of polymers for the preparation of nanoscale films. Chemical Communications 47(47): 12601-12603
Poli, R.; Shaver, M.P. 2014: ATRP/OMRP/CCT interplay in styrene polymerization mediated by iron(II) complexes: a DFT study of the α-diimine system. Chemistry 20(52): 17530-17540
Sigg, S.J.; Seidi, F.; Renggli, K.; Silva, T.B.; Kali, G.; Bruns, N. 2012: ATRPases: enzymes as catalysts for atom transfer radical polymerization. Chimia 66(1-2): 66
Sarma, K.; Cifuentes-Rojas, C.; Ergun, A.; Del Rosario, A.; Jeon, Y.; White, F.; Sadreyev, R.; Lee, J.T. 2014: ATRX directs binding of PRC2 to Xist RNA and Polycomb targets. Cell 159(4): 869-883
Clynes, D.; Jelinska, C.; Xella, B.; Ayyub, H.; Taylor, S.; Mitson, M.; Bachrati, C.ád.Z.; Higgs, D.R.; Gibbons, R.J. 2014: ATRX dysfunction induces replication defects in primary mouse cells. Plos one 9(3): E92915
Huyhn, K.; Renfree, M.B.; Graves, J.A.; Pask, A.J. 2011: ATRX has a critical and conserved role in mammalian sexual differentiation. Bmc Developmental Biology 11: 39
Bérubé, N.G. 2011: ATRX in chromatin assembly and genome architecture during development and disease. Biochemistry and Cell Biology 89(5): 435-444
Wong, L.H.; McGhie, J.D.; Sim, M.; Anderson, M.A.; Ahn, S.; Hannan, R.D.; George, A.J.; Morgan, K.A.; Mann, J.R.; Choo, K.H.A. 2010: ATRX interacts with H3.3 in maintaining telomere structural integrity in pluripotent embryonic stem cells. Genome Research 20(3): 351-360
Ritchie, K.; Watson, L.A.; Davidson, B.; Jiang, Y.; Bérubé, N.G. 2014: ATRX is required for maintenance of the neuroprogenitor cell pool in the embryonic mouse brain. Biology Open 3(12): 1158-1163
Cai, J.; Yang, P.; Zhang, C.; Zhang, W.; Liu, Y.; Bao, Z.; Liu, X.; Du, W.; Wang, H.; Jiang, T.; Jiang, C. 2014: ATRX mRNA expression combined with IDH1/2 mutational status and Ki-67 expression refines the molecular classification of astrocytic tumors: evidence from the whole transcriptome sequencing of 169 samples samples. Oncotarget 5(9): 2551-2561
Baumann, C.; De La Fuente, R. 2009: ATRX marks the inactive X chromosome (Xi) in somatic cells and during imprinted X chromosome inactivation in trophoblast stem cells. Chromosoma 118(2): 209-222
Kernohan, K.D.; Jiang, Y.; Tremblay, D.C.; Bonvissuto, A.C.; Eubanks, J.H.; Mann, M.R.W.; Bérubé, N.G. 2010: ATRX partners with cohesin and MeCP2 and contributes to developmental silencing of imprinted genes in the brain. Developmental Cell 18(2): 191-202
Ratnakumar, K.; Duarte, L.F.; LeRoy, G.; Hasson, D.; Smeets, D.; Vardabasso, C.; Bönisch, C.; Zeng, T.; Xiang, B.; Zhang, D.Y.; Li, H.; Wang, X.; Hake, S.B.; Schermelleh, L.; Garcia, B.A.; Bernstein, E. 2012: ATRX-mediated chromatin association of histone variant macroH2A1 regulates α-globin expression. Genes and Development 26(5): 433-438
Whitehouse, I.; Owen-Hughes, T. 2010: ATRX: Put me on repeat. Cell 143(3): 335-336
Gibbons, R.J.; Higgs, D.R. 2010: ATRX: taming tandem repeats. Cell Cycle 9(23): 4605-4606
Ratnakumar, K.; Bernstein, E. 2013: ATRX: the case of a peculiar chromatin remodeler. Epigenetics 8(1): 3-9
Fleming, L. 2018: Asthma exacerbation prediction: recent insights. Current Opinion in Allergy and Clinical Immunology 18(2): 117-123
Ortega, H.; Yancey, S.W.; Keene, O.N.; Gunsoy, N.B.; Albers, F.C.; Howarth, P.H. 2018: Asthma Exacerbations Associated with Lung Function Decline in Patients with Severe Eosinophilic Asthma. Journal of Allergy and Clinical Immunology. in Practice 6(3): 980-986.E1
Costa, L.Damaceno.Camargo.; Camargos, P.Augusto.Moreira.; Brand, P.L.P.; Fiaccadori, Fíola.Souza.; de Lima Dias E Souza, M.Borges.; das Dôres de Paula Cardoso, D.; de Araújo Castro, Ítalo.; Minamisava, R.; Sucasas da Costa, P.Sérgio. 2018: Asthma exacerbations in a subtropical area and the role of respiratory viruses: a cross-sectional study. Bmc Pulmonary Medicine 18(1): 109
Mortaz, E. 2012: ATS and our Journal Collaboration. Tanaffos 11(1): 6
Weese-Mayer, D.E.; Berry-Kravis, E.M.; Ceccherini, I.; Keens, T.G.; Loghmanee, D.A.; Trang, H. 2013: ATS clinical policy statement: congenital central hypoventilation syndrome. Genetic basis, diagnosis and management. Revue des maladies respiratoires 30(8): 706-733
Wilbur, S.; Wohlers, D.; Paikoff, S.; Keith, L.S.; Faroon, O. 2008: ATSDR evaluation of health effects of benzene and relevance to public health. Toxicology and Industrial Health 24(5-6): 263-398
Wilbur, S.; Wohlers, D.; Paikoff, S.; Keith, L.S.; Faroon, O. 2008: ATSDR evaluation of potential for human exposure to benzene. Toxicology and Industrial Health 24(5-6): 399-442
Portier, C.J. 2012: ATSDR in the 21st century. Journal of environmental health 74(7): 30-31
Dyken, J.J.; Wheeler, J.S. 2008: ATSDR's experience with community exposure to "naturally occurring asbestos". Journal of environmental health 70(10): 74-76
Gude, D.; Bansal, D.P. 2011: ATT- a Double Edged Sword?. Indian Journal of Pharmaceutical Sciences 73(6): 663-665
Obayashi, T.; Okamura, Y.; Ito, S.; Tadaka, S.; Aoki, Y.; Shirota, M.; Kinoshita, K. 2014: ATTED-Ii in 2014: evaluation of gene coexpression in agriculturally important plants. Plant and Cell Physiology 55(1): E6
Obayashi, T.; Hayashi, S.; Saeki, M.; Ohta, H.; Kinoshita, K. 2009: ATTED-Ii provides coexpressed gene networks for Arabidopsis. Nucleic Acids Research 37(Database Issue): D987-D991
Obayashi, T.; Nishida, K.; Kasahara, K.; Kinoshita, K. 2011: ATTED-II updates: condition-specific gene coexpression to extend coexpression analyses and applications to a broad range of flowering plants. Plant and Cell Physiology 52(2): 213-219
Cacciatore, J.; Flint, M. 2012: ATTEND: toward a mindfulness-based bereavement care model. Death Studies 36(1): 61-82
Miller, P.L. 1983: ATTENDING: Critiquing a Physician's Management Plan. IEEE Transactions on Pattern Analysis and Machine Intelligence 5(5): 449-461
Adedeji, W.A.; Ibraheem, W.A.; Fehintola, F.A. 2013: Attitude and Practice of Doctors toward Adverse Drug Reactions (Adrs) Reporting in a Nigerian Tertiary Health Facility. Annals of Ibadan Postgraduate Medicine 11(2): 77-80
West, J.C. 2005: ATTORNEY-CLIENT PRIVILEGE: attorney-client privilege attaches to materials submitted to hospital attorney. St. Luke Hospitals, Inc. V. Kopowski. Journal of Healthcare Risk Management: the Journal of the American Society for Healthcare Risk Management 25(3): 36-37
Gioeva, Z.; Urban, P.; Meliss, R.R.üd.; Haag, J.; Axmann, H.-D.; Siebert, F.; Becker, K.; Radtke, H.-G.; Röcken, C. 2013: ATTR amyloid in the carpal tunnel ligament is frequently of wildtype transthyretin origin. Amyloid: the International Journal of Experimental and Clinical Investigation: the Official Journal of the International Society of Amyloidosis 20(1): 1-6
Sekiguchi, T.; Tomimitsu, H.; Sekiguchi, T.; Nishida, Y.; Irioka, T.; Inaba, A.; Hoshii, Y. 2013: ATTR amyloidosis complicated by phrenic nerve palsy. Canadian Journal of Neurological Sciences. le Journal Canadien des Sciences Neurologiques 40(1): 129-130
Schneider, S.; Saladin, A.; Fiorucci, Sébastien.; Prévost, C.; Zacharias, M. 2012: ATTRACT and PTools: open source programs for protein-protein docking. Methods in Molecular Biology 819: 221-232
De Vries, S.J.; Zacharias, M. 2012: ATTRACT-EM: a new method for the computational assembly of large molecular machines using cryo-EM maps. Plos one 7(12): E49733
Anson, K.; Segedin, E.; Jones, P. 2009: ATV (quad bike) injuries in New Zealand children: their extent and severity. New Zealand Medical Journal 122(1302): 11-28
Helmkamp, J.C.; Aitken, M.E.; Lawrence, B.A. 2009: ATV and bicycle deaths and associated costs in the United States, 2000-2005. Public Health Reports 124(3): 409-418
Helmkamp, J.C.; Carter, M.W. 2009: ATV deaths among older adults in West Virginia: evidence suggesting that "60 is the new 40!". Southern Medical Journal 102(5): 465-469
Shults, R.A.; West, B.A. 2015: ATV riding and helmet use among youth aged 12-17 years, USA, 2011: results from the YouthStyles survey. Injury Prevention: Journal of the International Society for Child and Adolescent Injury Prevention 21(1): 10-14
Van Ee, C.A.; Toomey, D.E.; Moroski-Browne, B.A.; Vander Roest, M.; Wilson, A. 2014: ATV rollover, rider response, and determinants of injury: in-depth analysis of video-documented ATV rollover events. Traffic Injury Prevention 15 Suppl. 1: S190-S196
Moore, H.B.; Peltz, E.D.; Moore, E.E. 2013: ATV versus tree. Journal of Trauma and Acute Care Surgery 74(2): 703-704
Faitelson, Y.; Boaz, M.; Dalal, I. 2018: Asthma, Family History of Drug Allergy, and Age Predict Amoxicillin Allergy in Children. Journal of Allergy and Clinical Immunology. in Practice 6(4): 1363-1367
Fotopoulou, S.; Oikonomou, N.; Grigorieva, E.; Nikitopoulou, I.; Paparountas, T.; Thanassopoulou, A.; Zhao, Z.; Xu, Y.; Kontoyiannis, D.L.; Remboutsika, E.; Aidinis, V. 2010: ATX expression and LPA signalling are vital for the development of the nervous system. Developmental Biology 339(2): 451-464
Rodrigues, A.-J.ão.; Neves-Carvalho, A.; Ferro, A.; Rokka, A.; Corthals, G.; Logarinho, E.; Maciel, P.íc. 2009: ATX-3, CDC-48 and UBXN-5: a new trimolecular complex in Caenorhabditis elegans. Biochemical and Biophysical Research Communications 386(4): 575-581
Zhang, R.; Zhang, Z.; Pan, X.; Huang, X.; Huang, Z.; Zhang, G. 2011: ATX-LPA axis induces expression of OPN in hepatic cancer cell SMMC7721. Anatomical Record 294(3): 406-411
Liu, S.; Murph, M.; Panupinthu, N.; Mills, G.B. 2009: ATX-LPA receptor axis in inflammation and cancer. Cell Cycle 8(22): 3695-3701
Takahashi, H.; Ishida-Yamamoto, A.; Nakajima, S.; Sakata, I.; Iizuka, H. 2008: ATX-S10(Na)-photodynamic therapy inhibits cytokine secretion and proliferation of lymphocytes. Journal of Dermatological Science 49(2): 174-177
Ding, Y.; Ndamukong, I.; Xu, Z.; Lapko, H.; Fromm, M.; Avramova, Z. 2012: ATX1-generated H3K4me3 is required for efficient elongation of transcription, not initiation, at ATX1-regulated genes. Plos Genetics 8(12): E1003111
Fromm, M.; Avramova, Z. 2014: ATX1/AtCOMPASS and the H3K4me3 marks: how do they activate Arabidopsis genes?. Current Opinion in Plant Biology 21: 75-82
Lahut, S.; Ömür, Öz.ür.; Uyan, Öz.ün.; Ağım, Z.S.; Özoğuz, A.; Parman, Y.şi.; Deymeer, F.; Oflazer, P.; Koç, F.; Özçelik, H.; Auburger, G.; Başak, A.N.ı 2012: ATXN2 and its neighbouring gene SH2B3 are associated with increased ALS risk in the Turkish population. Plos one 7(8): E42956
Damrath, E.; Heck, M.V.; Gispert, S.; Azizov, M.; Nowock, J.; Seifried, C.; Rüb, U.; Walter, M.; Auburger, G. 2012: ATXN2-CAG42 sequesters PABPC1 into insolubility and induces FBXW8 in cerebellum of old ataxic knock-in mice. Plos Genetics 8(8): E1002920
Chen, I.-C.; Wu, Y.-R.; Yang, S.-J.; Kao, S.-H.; Chen, Y.-C.; Chang, K.-H.; Lee, C.-M.; Lee-Chen, G.-J.; Chen, C.-M. 2012: ATXN8 -62 G/A promoter polymorphism and risk of Taiwanese Parkinson's disease. European Journal of Neurology 19(11): 1462-1469
Campbell, A.A. 1930: ATYPICAL MASTOIDITIS: With Report of Cases. Canadian Medical Association Journal 22(2): 201-202
Savin, L.H. 1935: Atypical Retinitis Pigmentosa Associated with Obesity, Polydactyly, Hypogenitalism, and Mental Retardation (The Laurence-Moon-Biedl Syndrome) (Clinical and Genealogical Notes on a Case). British Journal of Ophthalmology 19(11): 597-600
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Valenti, V.E.; Abreu, L.C.d.; Sato, M.A.; Ferreira, C. 2010: ATZ (3-amino-1,2,4-triazole) injected into the fourth cerebral ventricle influences the Bezold-Jarisch reflex in conscious rats. Clinics 65(12): 1339-1343
Goltz, D.; Hittetiya, K.; Yadegari, H.; Driesen, J.; Kirfel, J.; Neuhaus, T.; Steiner, S.; Esch, C.; Bedorf, J.ör.; Hertfelder, H.-J.ör.; Fischer, H.-P. 2014: ATZ11 recognizes not only Z-α1-antitrypsin-polymers and complexed forms of non-Z-α1-antitrypsin but also the von Willebrand factor. Plos one 9(3): E91538
Ferro, M.; Brugière, S.; Salvi, D.; Seigneurin-Berny, D.é; Court, M.; Moyet, L.; Ramus, C.; Miras, S.ép.; Mellal, M.; Le Gall, S.; Kieffer-Jaquinod, S.; Bruley, C.; Garin, J.ér.ôm.; Joyard, J.; Masselon, C.; Rolland, N. 2010: AT_CHLORO, a comprehensive chloroplast proteome database with subplastidial localization and curated information on envelope proteins. Molecular and Cellular Proteomics: Mcp 9(6): 1063-1084
Bruley, C.; Dupierris, V.ér.; Salvi, D.; Rolland, N.; Ferro, M. 2012: AT_CHLORO: a Chloroplast Protein Database Dedicated to Sub-Plastidial Localization. Frontiers in Plant Science 3: 205
Correa, B.S.P.M.; Gonçalves, B.; Teixeira, I.M.; Gomes, Aônio.T.A.; Ziviani, A. 2011: AToMS: A Ubiquitous Teleconsultation System for Supporting AMI Patients with Prehospital Thrombolysis. International Journal of Telemedicine and Applications 2011: 560209
Yang, G.; Wong, A.; Rooke, R. 2012: ATon, abundant novel nonautonomous mobile genetic elements in yellow fever mosquito (Aedes aegypti). Bmc Genomics 13: 283
Knechtle, B.; Knechtle, P.; Rosemann, T.; Oliver, S. 2010: ATriple Iron triathlon leads to a decrease in total body mass but not to dehydration. Research Quarterly for Exercise and Sport 81(3): 319-327
Bourassa, E.A.; Fang, X.; Li, X.; Sved, A.F.; Speth, R.C. 2010: AT₁ angiotensin Ii receptor and novel non-AT₁, non-AT₂ angiotensin II/IIi binding site in brainstem cardiovascular regulatory centers of the spontaneously hypertensive rat. Brain Research 1359: 98-106
Silva, J.é; Pastorello, M.; Arzola, J.; Zavala, L.E.; De Jesús, S.; Varela, M.; Matos, M.ía.G.; del Rosario Garrido, M.ía.; Israel, A. 2010: AT₁ receptor and NAD(P)H oxidase mediate angiotensin II-stimulated antioxidant enzymes and mitogen-activated protein kinase activity in the rat hypothalamus. Journal of the Renin-Angiotensin-Aldosterone System: Jraas 11(4): 234-242
Da Silva, C.Zambone.C.; Menani, Jé.V.; Callera, Jão.C. 2011: AT₁ receptor blockade in the lateral parabrachial nucleus reduces the effects of muscimol on sodium intake. Brain Research 1403: 28-36
Kemp, B.A.; Howell, N.L.; Gildea, J.J.; Keller, S.R.; Padia, S.H.; Carey, R.M. 2014: AT₂ receptor activation induces natriuresis and lowers blood pressure. Circulation Research 115(3): 388-399
Seguin, L.R.; Villarreal, R.S.; Ciuffo, G.M. 2012: AT₂receptors recruit c-Src, SHP-1 and FAK upon activation by Ang II in PND15 rat hindbrain. Neurochemistry International 60(2): 199-207
Best, S.L.; Guo, Z.; Djuran, M.I.; Sadler, P.J. 1999: AU(DIEN)Cl]Cl(2): Exchange Phenomena Observed by H and C NMR Spectroscopy. Metal-Based Drugs 6(4-5): 261-269
Yang, Y.; Kang, P.; Gao, J.; Xu, C.; Wang, S.; Jin, H.; Li, Y.; Liu, W.; Wu, X. 2014: AU-binding factor 1 expression was correlated with metadherin expression and progression of hepatocellular carcinoma. Tumour Biology: the Journal of the International Society for Oncodevelopmental Biology and Medicine 35(3): 2747-2751
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Hanno, P.M.; Burks, D.Allen.; Clemens, J.Quentin.; Dmochowski, R.R.; Erickson, D.; Fitzgerald, M.Pat.; Forrest, J.B.; Gordon, B.; Gray, M.; Mayer, R.Dale.; Newman, D.; Nyberg, L.; Payne, C.K.; Wesselmann, U.; Faraday, M.M.; Hanno, P.M.; Clemens, J.Quentin.; Dmochowski, R.R.; Erickson, D.R.; FitzGerald, M.P.; Mayer, R.; Newman, D.K.; Payne, C.K.; Clemens, J.Quentin.; Dmochowski, R.R.; Payne, C.K.; Clemens, J.Quentin.; Payne, C.K.; Burks, D.A.; Burks, D.Allen.; FitzGerald, M.P.; Gray, M.L.; Newman, D.K.; Newman, D.K.; Mayer, R.D.; FitzGerald, M.P.; Dmochowski, R.R. 2011: AUA guideline for the diagnosis and treatment of interstitial cystitis/bladder pain syndrome. Journal of urology 185(6): 2162-2170
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Hambardzumyan, D.; Sergent-Tanguy, S.èn.; Thinard, R.; Bonnamain, V.; Masip, M.; Fabre, A.; Boudin, H.él.èn.; Neveu, I.; Naveilhan, P. 2009: AUF1 and Hu proteins in the developing rat brain: implication in the proliferation and differentiation of neural progenitors. Journal of Neuroscience Research 87(6): 1296-1309
Lee, K-Ha.; Kim, S-Hoon.; Kim, H-Jin.; Kim, W.; Lee, H-Rim.; Jung, Y.; Choi, J-Hyun.; Hong, K.Young.; Jang, S.Key.; Kim, K-Tai. 2014: AUF1 contributes to Cryptochrome1 mRNA degradation and rhythmic translation. Nucleic Acids Research 42(6): 3590-3606
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Chen, T.-M.; Hsu, C.-H.; Tsai, S.-J.; Sun, H.S. 2010: AUF1 p42 isoform selectively controls both steady-state and PGE2-induced FGF9 mRNA decay. Nucleic Acids Research 38(22): 8061-8071
Friedrich, S.; Schmidt, T.; Geissler, R.é; Lilie, H.; Chabierski, S.; Ulbert, S.; Liebert, U.G.; Golbik, R.P.; Behrens, S.-E. 2014: AUF1 p45 promotes West Nile virus replication by an RNA chaperone activity that supports cyclization of the viral genome. Journal of Virology 88(19): 11586-11599
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Iriarte, Y.; Diaz-Orueta, U.; Cueto, E.; Irazustabarrena, P.; Banterla, F.; Climent, G. 2016: AULA-Advanced Virtual Reality Tool for the Assessment of Attention: Normative Study in Spain. Journal of Attention Disorders 20(6): 542-568
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Rexer, H. 2011: AUO (Working Group on Urological Oncology) study of metastasized renal cell carcinoma: prospective randomized multicenter phase II study on resection of pulmonary metastases in clear cell renal cell carcinoma with or without adjuvant sunitinib therapy over 1 year (SMAT - AN 20/04 AUO). Der Urologe. Ausg. a 50(1): 83-84
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Dassi, E.; Malossini, A.; Re, A.; Mazza, T.; Tebaldi, T.; Caputi, L.; Quattrone, A. 2012: AURA: Atlas of UTR Regulatory Activity. Bioinformatics 28(1): 142-144
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Anonymous 1947: AUXILIARY swinging tray for dressing carriage. Bulletin of the U.S. Army Medical Department. United States. Army. Medical Department 7(2): 174
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Paque, S.éb.; Mouille, G.ég.; Grandont, L.; Alabadí, D.; Gaertner, C.; Goyallon, A.; Muller, P.; Primard-Brisset, C.; Sormani, R.; Blázquez, M.A.; Perrot-Rechenmann, C. 2014: Auxin Binding Protein1 Links cell Wall Remodeling, Auxin Signaling, and cell Expansion in Arabidopsis. Plant Cell 26(1): 280-295
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Zhang, Z-Yuan.; Zhang, Z.; Zug, C.; Nuesslein-Hildesheim, B.; Leppert, D.; Schluesener, H.J. 2009: AUY954, a selective S1P(1) modulator, prevents experimental autoimmune neuritis. Journal of Neuroimmunology 216(1-2): 59-65
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Eberhardt, F.; Hanke, T.; Fitschen, J.; Heringlake, M.; Bode, F.; Schunkert, H.; Wiegand, U.K.H. 2012: AV interval optimization using pressure volume loops in dual chamber pacemaker patients with maintained systolic left ventricular function. Clinical Research in Cardiology: Official Journal of the German Cardiac Society 101(8): 647-653
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Varkevisser, R.; Vos, M.A.; Beekman, J.D.; Tieland, R.G.; Van Der Heyden, M.A. 2015: AV-block and conduction slowing prevail over TdP arrhythmias in the methoxamine-sensitized pro-arrhythmic rabbit model. Journal of Cardiovascular Electrophysiology 26(1): 82-89
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Bannon, K. 2013: AVDS President's message. Journal of veterinary dentistry 30(4): 206
Rodrigues-Machado, M.G.; Magalhães, G.S.; Cardoso, J.A.; Kangussu, L.M.; Murari, A.; Caliari, M.V.; Oliveira, M.L.; Cara, D.C.; Noviello, M.L.M.; Marques, F.D.; Pereira, J.M.; Lautner, R.Q.; Santos, R.A.S.; Campagnole-Santos, M.J. 2013: AVE 0991, a non-peptide mimic of angiotensin-(1-7) effects, attenuates pulmonary remodelling in a model of chronic asthma. British Journal of Pharmacology 170(4): 835-846
Toton-Zuranska, J.; Gajda, M.; Pyka-Fosciak, G.; Kus, K.; Pawlowska, M.; Niepsuj, A.; Wolkow, P.; Olszanecki, R.; Jawien, J.; Korbut, R. 2010: AVE 0991-angiotensin-(1-7) receptor agonist, inhibits atherogenesis in apoE-knockout mice. Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society 61(2): 181-183
Sheng-Long, C.; Yan-Xin, W.; Yi-Yi, H.; Ming, F.; Jian-Gui, H.; Yi-Li, C.; Wen-Jing, X.; Hong, M. 2012: AVE0991, a Nonpeptide Compound, Attenuates Angiotensin II-Induced Vascular Smooth Muscle Cell Proliferation via Induction of Heme Oxygenase-1 and Downregulation of p-38 MAPK Phosphorylation. International Journal of Hypertension 2012: 958298
Black, M.D.; Stevens, R.J.; Rogacki, N.; Featherstone, R.E.; Senyah, Y.; Giardino, O.; Borowsky, B.; Stemmelin, J.; Cohen, C.; Pichat, P.; Arad, M.; Barak, S.; De Levie, A.; Weiner, I.; Griebel, G.; Varty, G.B. 2011: AVE1625, a cannabinoid CB1 receptor antagonist, as a co-treatment with antipsychotics for schizophrenia: improvement in cognitive function and reduction of antipsychotic-side effects in rodents. Psychopharmacology 215(1): 149-163
Xue, H.-M.; Yu, C.-M.; Underwood, M.J.; Huang, J.-H.; Yang, Q. 2012: AVE3085 protects coronary endothelium from the impairment of asymmetric dimethylarginine by activation and recoupling of eNOS. Cardiovascular Drugs and Therapy 26(5): 383-392
Yang, Q.; Xue, H-Mei.; Wong, W-Tak.; Tian, X-Yu.; Huang, Y.; Tsui, S.K.W.; Ng, P.Ks.; Wohlfart, P.; Li, H.; Xia, N.; Tobias, S.; Underwood, M.John.; He, G-Wei. 2011: AVE3085, an enhancer of endothelial nitric oxide synthase, restores endothelial function and reduces blood pressure in spontaneously hypertensive rats. British Journal of Pharmacology 163(5): 1078-1085
Radhakrishnan, J.; Kolarova, J.D.; Ayoub, I.M.; Gazmuri, Rúl.J. 2011: AVE4454B--a novel sodium-hydrogen exchanger isoform-1 inhibitor--compared less effective than cariporide for resuscitation from cardiac arrest. Translational Research: the Journal of Laboratory and Clinical Medicine 157(2): 71-80
Lassen, M.R.; Dahl, O.E.; Mismetti, P.; Destrée, D.; Turpie, A.G.G. 2009: AVE5026, a new hemisynthetic ultra-low-molecular-weight heparin for the prevention of venous thromboembolism in patients after total knee replacement surgery--TREK: a dose-ranging study. Journal of Thrombosis and Haemostasis: Jth 7(4): 566-572
Delmonte, A.; Sessa, C. 2009: AVE8062: a new combretastatin derivative vascular disrupting agent. Expert Opinion on Investigational Drugs 18(10): 1541-1548
Anonymous 1939: AVERAGE U. S. INCOME TOLD: Earnings of Typical American Family in 1938 Put at \$2,116. California and Western Medicine 50(5): 389
Anonymous 1947: AVERAGE days of disability. Medical bulletin 7(1): 57-60
Vuong, H.; Stephens, R.M.; Volfovsky, N. 2014: AVIA: an interactive web-server for annotation, visualization and impact analysis of genomic variations. Bioinformatics 30(7): 1013-1014
Sinha, S.K. 2008: AVID revisited: quality of life is important too. Heart Rhythm 5(3): 366
Latocha, M.; Beck, P.; Rollet, S. 2009: AVIDOS--a software package for European accredited aviation dosimetry. Radiation Protection Dosimetry 136(4): 286-290
Barash, Y.; Vaquero-Garcia, J.; González-Vallinas, J.; Xiong, H.Y.; Gao, W.; Lee, L.J.; Frey, B.J. 2013: AVISPA: a web tool for the prediction and analysis of alternative splicing. Genome Biology 14(10): R114
Norman, C. 1985: AVLIS: a Clear Winner. Science 228(4706): 1408
Litao, M.Lorenzo.Silva.; Pilar-Arceo, C.Pc.; Legaspi, G.Dizon. 2012: AVM Compartments: Do they modulate trasnidal pressures? An electrical network analysis. Asian Journal of Neurosurgery 7(4): 174-180
Cockroft, K.M.; Chang, K.-E.; Lehman, E.B.; Harbaugh, R.E. 2014: AVM Management Equipoise Survey: physician opinions regarding the management of brain arteriovenous malformations. Journal of Neurointerventional Surgery 6(10): 748-753
Asgari, S.; Bassiouni, H.; Gizewski, E.; van de Nes, J.A.P.; Stolke, D.; Sandalcioglu, I.Erol. 2010: AVM resection after radiation therapy--clinico-morphological features and microsurgical results. Neurosurgical Review 33(1): 53-61
Nolen, R.Scott. 2011: AVMA board approves Panel on Euthanasia report: updated guidelines cover more species and methods. Journal of the American Veterinary Medical Association 239(10): 1269
Larkin, M. 2014: AVMA continues to work with FDA on antimicrobials. Journal of the American Veterinary Medical Association 244(11): 1228
Cima, G. 2011: AVMA determining scope of improper practice. Journal of the American Veterinary Medical Association 239(4): 418-419
Nolen, R.S. 2012: AVMA funds economic study of veterinary workforce. Journal of the American Veterinary Medical Association 240(12): 1384-1386
Larkin, M. 2013: Navigating a sea of technology: taking a quick look at online resources for veterinarians. Journal of the American Veterinary Medical Association 243(12): 1656-1658
Goldman, A.L.; De Witt, W.; Scheftel, J.; Candee, T.; Belden, R.H.; Saif, Y.M.; Cutler, G.; Stevens, J. 2013: AVMA governance changes. Journal of the American Veterinary Medical Association 243(8): 1100
Nolen, R.S. 2014: AVMA governance reform team resigns: HOD to consider structural changes internally. Journal of the American Veterinary Medical Association 245(6): 614-615
Nolen, R.S. 2008: AVMA hails gains in farm bill. Journal of the American Veterinary Medical Association 233(1): 10-12
Molfino, I.; Celentano, S. 2014: We were in Bertinoro. Giornale Italiano di Nefrologia: Organo Ufficiale Della Societa Italiana di Nefrologia 31(3): 263
Burns, K. 2014: AVMA launches Personal Financial Planning Tool. Journal of the American Veterinary Medical Association 245(4): 362
Anonymous 2008: AVMA leaders seek support for workforce expansion legislation. Legislators also pressed on funding priorities. Journal of the American Veterinary Medical Association 232(11): 1611-1612
Larkin, M. 2014: 3-D printing makes its way to veterinary medicine. Journal of the American Veterinary Medical Association 245(1): 24-25
Anonymous 2012: AVMA policy on pregnant sow housing. Journal of the American Veterinary Medical Association 241(7): 864; discussion 864
Dee, L.G.; Kinnarney, J.H.; Nolen, R.Scott. 2014: AVMA presidential candidates, in their own words. Journal of the American Veterinary Medical Association 245(1): 16-19
Anonymous 2014: AVMA pushes for enhancement act passage by year's end. Journal of the American Veterinary Medical Association 245(1): 22
Burns, K. 2013: AVMA report details pet ownership, veterinary care. Journal of the American Veterinary Medical Association 242(3): 280-285
Cima, G. 2009: AVMA says: Pew Commission report is flawed, unscientific. Journal of the American Veterinary Medical Association 235(5): 474 482
Anonymous 2014: AVMA seeks to promote intraprofessional dialogue about animal welfare issues. Journal of the American Veterinary Medical Association 244(1): 10-13
Burns, K. 2014: AVMA seeks to refocus through strategy management. Journal of the American Veterinary Medical Association 244(12): 1354
Khuly, P. 2014: AVMA support for travel to Cuba. Journal of the American Veterinary Medical Association 244(7): 775
Anonymous 2013: AVMA supports new horse protections. Journal of the American Veterinary Medical Association 242(2): 130-131
Nolen, R.Scott. 2009: AVMA tells Senate subcommittee that nation is at risk. Journal of the American Veterinary Medical Association 234(7): 850-852
Anonymous 2009: AVMA updates backgrounder on canine influenza. Journal of the American Veterinary Medical Association 235(7): 797
Cima, G. 2012: AVMA updates model practice act: delegates also act on rabies vaccine waivers, abuse reports. Journal of the American Veterinary Medical Association 240(5): 489-490
Larkin, M. 2012: AVMA, AAEP call for ban on soring devices, methods: veterinary organizations hope USDA takes action. Journal of the American Veterinary Medical Association 241(3): 296-297
Anonymous 2008: AVMA, swine veterinarians respond to video of pig abuse. Journal of the American Veterinary Medical Association 233(8): 1198 1203
Larkin, M. 2014: AVMF adds to its charitable programs: fund will help donors assist in-need veterinary patients. Journal of the American Veterinary Medical Association 245(7): 730-732
Larkin, M. 2013: AVMF puts mission into action: five educational events reach out to public. Journal of the American Veterinary Medical Association 243(12): 1652-1654
Larkin, M. 2011: AVMF receives 4-star rating: more donations, programmatic spending were factors. Journal of the American Veterinary Medical Association 239(10): 1272
Fisher, J.D. 2011: AVNRT ablation: aiming for 100/0, and for comfort!. Pacing and Clinical Electrophysiology: Pace 34(1): 1
Zachariah, D.; Kalra, P.R.; Andrews, N.P. 2010: AVNRT unmasking asymptomatic ALCAPA (anomalous left coronary artery arising from the pulmonary artery) with preserved left ventricular function in middle age. Journal of Invasive Cardiology 22(2): E32-E33
Hinshaw, H.C. 1948: Present status of streptomycin in the treatment of clinical tuberculosis. Bulletin of the International Union Against Tuberculosis 19(1): 2
Anonymous 1945: AVOIDANCE of trematode infections in the Orient. Bulletin of the U.S. Army Medical Department. United States. Army. Medical Department 4: 622
An, X.-L.; Tai, F.-D. 2014: AVP and Glu systems interact to regulate levels of anxiety in BALB/cJ mice. Dong Wu Xue Yan Jiu 35(4): 319-325
Pei, H.; Sutton, A.K.; Burnett, K.H.; Fuller, P.M.; Olson, D.P. 2014: AVP neurons in the paraventricular nucleus of the hypothalamus regulate feeding. Molecular Metabolism 3(2): 209-215
Kumar, S.K.; Mather, P.J. 2009: AVP receptor antagonists in patients with CHF. Heart Failure Reviews 14(2): 83-86
Olney, N.; Rosen, H. 2010: AVP-923, a combination of dextromethorphan hydrobromide and quinidine sulfate for the treatment of pseudobulbar affect and neuropathic pain. Idrugs: the Investigational Drugs Journal 13(4): 254-265
Odgaard, E.; Praetorius, H.A.; Leipziger, J. 2009: AVP-stimulated nucleotide secretion in perfused mouse medullary thick ascending limb and cortical collecting duct. Journal of Medical Investigation: Jmi 56 Suppl: 262-263
Bolignano, D. 2010: AVP: a new target in the treatment of chronic kidney disease?. Giornale Italiano di Nefrologia: Organo Ufficiale Della Societa Italiana di Nefrologia 27(6): 561
Prichard, Zë.M.; Mackinnon, A.J.; Jorm, A.F.; Easteal, S. 2007: AVPR1A and OXTR polymorphisms are associated with sexual and reproductive behavioral phenotypes in humans. Mutation in brief no. 981. Online. Human Mutation 28(11): 1150
Morley, A.P.; Narayanan, M.; Mines, R.; Molokhia, A.; Baxter, S.; Craig, G.; Lewis, C.M.; Craig, I. 2012: AVPR1A and SLC6A4 polymorphisms in choral singers and non-musicians: a gene association study. Plos one 7(2): E31763
Babb, P.L.; Fernandez-Duque, E.; Schurr, T.G. 2010: AVPR1A sequence variation in monogamous owl monkeys (Aotus azarai) and its implications for the evolution of platyrrhine social behavior. Journal of Molecular Evolution 71(4): 279-297
Avinun, R.; Israel, S.; Shalev, I.; Gritsenko, I.; Bornstein, G.; Ebstein, R.P.; Knafo, A. 2011: AVPR1A variant associated with preschoolers' lower altruistic behavior. Plos one 6(9): E25274
Spanakis, E.; Milord, E.; Gragnoli, C. 2008: AVPR2 variants and mutations in nephrogenic diabetes insipidus: review and missense mutation significance. Journal of Cellular Physiology 217(3): 605-617
Qureshi, A.; Thakur, N.; Tandon, H.; Kumar, M. 2014: AVPdb: a database of experimentally validated antiviral peptides targeting medically important viruses. Nucleic Acids Research 42(Database Issue): D1147-D1153
Thakur, N.; Qureshi, A.; Kumar, M. 2012: AVPpred: collection and prediction of highly effective antiviral peptides. Nucleic Acids Research 40(Web Server Issue): W199-W204
Ko, J.; Lim, H.; Lee, S.; Shon, T. 2014: AVQS: attack route-based vulnerability quantification scheme for smart grid. Thescientificworldjournal 2014: 713012
Sakata, R. 2009: AVR for small aortic annulus, with or without annular enlargement. Nihon Geka Gakkai Zasshi 110(4): 215-218
Herrera, V.L.M.; Bagamasbad, P.; Decano, J.L.; Ruiz-Opazo, N. 2011: AVR/NAVR deficiency lowers blood pressure and differentially affects urinary concentrating ability, cognition, and anxiety-like behavior in male and female mice. Physiological Genomics 43(1): 32-42
Zheng, Y.; Zheng, W.; Lin, F.; Zhang, Y.; Yi, Y.; Wang, B.; Lu, G.; Wang, Z.; Wu, W. 2011: AVR1-CO39 is a predominant locus governing the broad avirulence of Magnaporthe oryzae 2539 on cultivated rice (Oryza sativa L.). Molecular Plant-Microbe Interactions: Mpmi 24(1): 13-17
Liu, X.-B.; Wen, Y.-M.; Li, F.; Wu, C.-H.; Duan, Z.-P. 2012: AVS concentrations in Xinan Creek and the influencing factors. Huan Jing Ke Xue= Huanjing Kexue 33(7): 2384-2393
Kim, D.-S.; Lee, H.-K.; Park, S.-H.; Chae, C.H.; Park, K.-C. 2009: AVS-1357 inhibits melanogenesis via prolonged ERK activation. Die Pharmazie 64(8): 532-537
Martos-Sitcha, J.A.; Gregório, S.F.; Carvalho, E.S.M.; Canario, A.V.M.; Power, D.M.; Mancera, J.M.; Martínez-Rodríguez, G.; Fuentes, J. 2013: AVT is involved in the regulation of ion transport in the intestine of the sea bream (Sparus aurata). General and Comparative Endocrinology 193: 221-228
Anonymous 2008: AVTRW looks at the science of TB. Veterinary Record 162(18): 571-572
Bhol, K.C.; Tracey, D.E.; Lemos, B.R.; Lyng, G.D.; Erlich, E.C.; Keane, D.M.; Quesenberry, M.S.; Holdorf, A.D.; Schlehuber, L.D.; Clark, S.A.; Fox, B.S. 2013: AVX-470: a novel oral anti-TNF antibody with therapeutic potential in inflammatory bowel disease. Inflammatory Bowel Diseases 19(11): 2273-2281
Trubuhovich, R.V.; Melville, A. 2009: AW Melville, a pioneer in New Zealand medical electronics and inventor of the Fisher and Paykel Humidifier. Anaesthesia and Intensive Care 37(Suppl 1): 47-51
Hwang, M.-K.; Ryu, B.J.; Kim, S.H. 2012: AW00179 potentiates TRAIL-mediated death of human lung cancer H1299 cells through ROS-JNK-c-Jun-mediated up-regulation of DR5 and down-regulation of anti-apoptotic molecules. Amino Acids 43(4): 1679-1687
Yasuda, S.; Hasegawa, T.; Hosono, T.; Satoh, M.; Watanabe, K.; Ono, K.; Shimizu, S.; Hayakawa, T.; Yamaguchi, T.; Suzuki, K.; Sato, Y. 2011: AW551984: a novel regulator of cardiomyogenesis in pluripotent embryonic cells. Biochemical Journal 437(2): 345-355
Pfaller, M.A.; Farrell, D.J.; Sader, H.S.; Jones, R.N. 2012: AWARE Ceftaroline Surveillance Program (2008-2010): trends in resistance patterns among Streptococcus pneumoniae, Haemophilus influenzae, and Moraxella catarrhalis in the United States. Clinical Infectious Diseases: An Official Publication of the Infectious Diseases Society of America 55 Suppl. 3: S187-S193
Parnia, S.; Spearpoint, K.; de Vos, G.; Fenwick, P.; Goldberg, D.; Yang, J.; Zhu, J.; Baker, K.; Killingback, H.; McLean, P.; Wood, M.; Zafari, A.Maziar.; Dickert, N.; Beisteiner, R.; Sterz, F.; Berger, M.; Warlow, C.; Bullock, S.; Lovett, S.; McPara, R.Metcalfe.Smith.; Marti-Navarette, S.; Cushing, P.; Wills, P.; Harris, K.; Sutton, J.; Walmsley, A.; Deakin, C.D.; Little, P.; Farber, M.; Greyson, B.; Schoenfeld, E.R. 2014: AWARE-AWAreness during REsuscitation-a prospective study. Resuscitation 85(12): 1799-1805
Vandenberg, V.B. 2010: AWBAT: early clinical experience. Eplasty 10: E23
Abdul-Wahid, B.'; Feng, H.; Rajan, D.; Costaouec, R.; Darve, E.; Thain, D.; Izaguirre, J.ús.A. 2014: AWE-WQ: fast-forwarding molecular dynamics using the accelerated weighted ensemble. Journal of Chemical Information and Modeling 54(10): 3033-3043
Kreuter, A.; Krieg, T.; Worm, M.; Wenzel, J.ör.; Gambichler, T.; Kuhn, A.; Aberer, E.; Scharffetter-Kochanek, K.; Hunzelmann, N. 2009: AWMF Guideline no. 013/066. Diagnosis and therapy of circumscribed scleroderma. Journal der Deutschen Dermatologischen Gesellschaft 7(Suppl 6): S1-14
Hardinghaus, W. 2008: AWMF guidelines for fibromyalgia syndrome. Schmerz 22(6): 682; Author Reply 683-4
Ostendoft, G.M. 2013: AWMF: basic principles of medical expert assessment. Versicherungsmedizin 65(4): 210-211
Hügler, S. 2013: AWMF: more than guideline development. Deutsche Medizinische Wochenschrift 138(39): 1926-1927
Carroll, J. 2012: AWP leaves, AAC arrives; can it really do the job?. Managed Care 21(3): 6-7
Miyata, N.; Okumoto, K.; Mukai, S.; Noguchi, M.; Fujiki, Y. 2012: AWP1/ZFAND6 functions in Pex5 export by interacting with cys-monoubiquitinated Pex5 and Pex6 AAA ATPase. Traffic 13(1): 168-183
Davtyan, A.; Schafer, N.P.; Zheng, W.; Clementi, C.; Wolynes, P.G.; Papoian, G.A. 2012: AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing. Journal of Physical Chemistry. B 116(29): 8494-8503
Anonymous 1954: AXILLARY odor. What's new 182: 13-14
Guimier, A.; Ragazzon, B.; Assié, G.; Tissier, F.; Dousset, B.; Bertherat, J.; Gaujoux, S. 2013: AXIN genetic analysis in adrenocortical carcinomas updated. Journal of Endocrinological Investigation 36(11): 1000-1003
Pećina-Slaus, N.; Martić, T.N.; Kokotović, T.; Kusec, V.; Tomas, D.; Hrasćan, R. 2011: AXIN-1 protein expression and localization in glioblastoma. Collegium Antropologicum 35(Suppl 1): 101-106
Mazzoni, S.M.; Fearon, E.R. 2014: AXIN1 and AXIN2 variants in gastrointestinal cancers. Cancer Letters 355(1): 1-8
Deng, F.; Li, S.; Xu, W.; Zou, Z.; Ke, Z.; Zeng, F. 2013: AXIN1-related CSRNP1 mRNA expression and its transcriptional regulation in TGF-β1-induced tumor cells. Nan Fang Yi Ke da Xue Xue Bao 33(8): 1122-1126
Letra, A.; Menezes, R.; Granjeiro, J.M.; Vieira, A.R. 2009: AXIN2 and CDH1 polymorphisms, tooth agenesis, and oral clefts. Birth Defects Research. Part a Clinical and Molecular Teratology 85(2): 169-173
Pedace, L.; Castiglia, D.; De Simone, P.; Castori, M.; De Luca, N.; Amantea, A.; Binni, F.; Majore, S.; Cozzolino, A.M.; De Bernardo, C.; Zambruno, G.; Catricalà, C.; Grammatico, P. 2011: AXIN2 germline mutations are rare in familial melanoma. Genes Chromosomes and Cancer 50(5): 370-373
Gunes, E.Gulsen.; Pinarbasi, E.; Pinarbasi, H. 2010: AXIN2 polymorphism and its association with astrocytoma in a Turkish population. Molecular Medicine Reports 3(4): 705-709
Pinarbasi, E.; Gunes, E.Gulsen.; Pinarbasi, H.; Donmez, G.; Silig, Y. 2011: AXIN2 polymorphism and its association with prostate cancer in a Turkish population. Medical Oncology 28(4): 1373-1378
Marvin, M.L.; Mazzoni, S.M.; Herron, C.M.; Edwards, S.; Gruber, S.B.; Petty, E.M. 2011: AXIN2-associated autosomal dominant ectodermal dysplasia and neoplastic syndrome. American Journal of Medical Genetics. Part a 155a (4): 898-902
Menezes, R.; Marazita, M.L.; Goldstein McHenry, T.; Cooper, M.E.; Bardi, K.; Brandon, C.; Letra, A.; Martin, R.A.; Vieira, A.R. 2009: AXIS inhibition protein 2, orofacial clefts and a family history of cancer. Journal of the American Dental Association 140(1): 80-84
Schäbitz, W.R.; Laage, R.; Vogt, G.; Koch, W.; Kollmar, R.; Schwab, S.; Schneider, D.; Hamann, G.F.; Rosenkranz, M.; Veltkamp, R.; Fiebach, J.B.; Hacke, W.; Grotta, J.C.; Fisher, M.; Schneider, A. 2010: AXIS: a trial of intravenous granulocyte colony-stimulating factor in acute ischemic stroke. Stroke 41(11): 2545-2551
Wilson, C.; Ye, X.; Pham, T.; Lin, E.; Chan, S.; McNamara, E.; Neve, R.M.; Belmont, L.; Koeppen, H.; Yauch, R.L.; Ashkenazi, A.; Settleman, J. 2014: AXL inhibition sensitizes mesenchymal cancer cells to antimitotic drugs. Cancer Research 74(20): 5878-5890
Dunne, P.D.; McArt, D.G.; Blayney, J.K.; Kalimutho, M.; Greer, S.; Wang, T.; Srivastava, S.; Ong, C.W.; Arthur, K.; Loughrey, M.; Redmond, K.; Longley, D.B.; Salto-Tellez, M.; Johnston, P.G.; Van Schaeybroeck, S. 2014: AXL is a key regulator of inherent and chemotherapy-induced invasion and predicts a poor clinical outcome in early-stage colon cancer. Clinical Cancer Research: An Official Journal of the American Association for Cancer Research 20(1): 164-175
Rankin, E.B.; Fuh, K.C.; Taylor, T.E.; Krieg, A.J.; Musser, M.; Yuan, J.; Wei, K.; Kuo, C.J.; Longacre, T.A.; Giaccia, A.J. 2010: AXL is an essential factor and therapeutic target for metastatic ovarian cancer. Cancer Research 70(19): 7570-7579
Wu, X.; Liu, X.; Koul, S.; Lee, C.Y.; Zhang, Z.; Halmos, B. 2014: AXL kinase as a novel target for cancer therapy. Oncotarget 5(20): 9546-9563
Hong, J.; Belkhiri, A. 2013: AXL mediates TRAIL resistance in esophageal adenocarcinoma. Neoplasia 15(3): 296-304
Brand, T.M.; Iida, M.; Stein, A.P.; Corrigan, K.L.; Braverman, C.M.; Luthar, N.; Toulany, M.; Gill, P.S.; Salgia, R.; Kimple, R.J.; Wheeler, D.L. 2014: AXL mediates resistance to cetuximab therapy. Cancer Research 74(18): 5152-5164
Batlle, M.; Recarte-Pelz, P.; Roig, E.; Castel, M.A.; Cardona, M.; Farrero, M.; Ortiz, J.T.; Campos, B.; Pulgarín, M.J.; Ramírez, J.; Pérez-Villa, F.; García de Frutos, P. 2014: AXL receptor tyrosine kinase is increased in patients with heart failure. International Journal of Cardiology 173(3): 402-409
Heideman, M.R.; Hynes, N.E. 2013: AXL/epidermal growth factor receptor (EGFR) complexes in breast cancer--culprits for resistance to EGFR inhibitors?. Breast Cancer Research: Bcr 15(5): 315
Li, Y.; Kurepa, J.; Smalle, J. 2013: AXR1 promotes the Arabidopsis cytokinin response by facilitating ARR5 proteolysis. Plant Journal: for Cell and Molecular Biology 74(1): 13-24
Hotton, S.K.; Eigenheer, R.A.; Castro, M.F.; Bostick, M.; Callis, J. 2011: AXR1-ECR1 and AXL1-ECR1 heterodimeric RUB-activating enzymes diverge in function in Arabidopsis thaliana. Plant Molecular Biology 75(4-5): 515-526
John, M.R.; Harfst, E.; Loeffler, J.; Belleli, R.; Mason, J.; Bruin, G.J.M.; Seuwen, K.; Klickstein, L.B.; Mindeholm, L.; Widler, L.; Kneissel, M. 2014: AXT914 a novel, orally-active parathyroid hormone-releasing drug in two early studies of healthy volunteers and postmenopausal women. Bone 64: 204-210
Günl, M.; Pauly, M. 2011: AXY3 encodes a α-xylosidase that impacts the structure and accessibility of the hemicellulose xyloglucan in Arabidopsis plant cell walls. Planta 233(4): 707-719
Günl, M.; Neumetzler, L.; Kraemer, F.; de Souza, A.; Schultink, A.; Pena, M.; York, W.S.; Pauly, M. 2011: AXY8 encodes an α-fucosidase, underscoring the importance of apoplastic metabolism on the fine structure of Arabidopsis cell wall polysaccharides. Plant Cell 23(11): 4025-4040
Borowicz, J.J.; Brishammar, S.; Gerhardson, B. 1995: AXanthomonas maltophilia isolate tolerating up to 1% sodium azide in Tris/HCl buffer. World Journal of Microbiology and Biotechnology 11(2): 236-237
Bai, X.; Correa, V.R.; Toruño, T.Y.; Ammar, E.-D.; Kamoun, S.; Hogenhout, S.A. 2009: AY-WB phytoplasma secretes a protein that targets plant cell nuclei. Molecular Plant-Microbe Interactions: Mpmi 22(1): 18-30
Hao, R.; Zhang, C.; Lv, L.; Shi, L.; Yue, W. 2013: AY9944 A-7 promotes meiotic resumption and preimplantation development of prepubertal sheep oocytes maturing in vitro. Theriogenology 80(5): 436-442
Johnson, R.H. 2013: AYA in the USA. International Perspectives on AYAO, Part 5. Journal of Adolescent and Young Adult Oncology 2(4): 167-174
Chandola, H.M. 2011: AYU: the unique platform for Ayurvedists. Ayu 32(1): 5
Majumdar, K.A. 1989: Ayurveda and Modern Medice: (A Critical Study). Ancient Science of Life 8(3-4): 177-190
Bijoy, C.R. 1981: Ayurveda, an Appropriate Strategy for Social Health: An Overview of the Indian Panorama. Ancient Science of Life 1(2): 94-102
Eketjäll, S.; Janson, J.; Jeppsson, F.; Svanhagen, A.; Kolmodin, K.; Gustavsson, S.; Radesäter, A.-C.; Eliason, K.; Briem, S.; Appelkvist, P.; Niva, C.; Berg, A.-L.; Karlström, S.; Swahn, B.-M.; Fälting, J. 2013: AZ-4217: a high potency BACE inhibitor displaying acute central efficacy in different in vivo models and reduced amyloid deposition in Tg2576 mice. Journal of Neuroscience: the Official Journal of the Society for Neuroscience 33(24): 10075-10084
Yang, J.; Ikezoe, T.; Nishioka, C.; Furihata, M.; Yokoyama, A. 2010: AZ960, a novel Jak2 inhibitor, induces growth arrest and apoptosis in adult T-cell leukemia cells. Molecular Cancer Therapeutics 9(12): 3386-3395
Anonymous 2007: AZ: agency RN injured while leaving hospital: court held workers' comp. 'exclusive remedy'. Schwager v. VHS Acquisition Corp. Vanguard, (07/ 03/2007) 142 P.3d 1227 -AZ. Nursing Law's Regan Report 48(4): 3
Asa, C.; Boutelle, S.; Bauman, K. 2012: AZA Wildlife Contraception Center programme for wild felids and canids. Reproduction in Domestic Animals 47 Suppl. 6: 377-380
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Cassarino, M.Francesca.; Sesta, A.; Pagliardini, L.; Losa, M.; Lasio, G.; Cavagnini, F.; Pecori Giraldi, F. 2014: AZA-deoxycytidine stimulates proopiomelanocortin gene expression and ACTH secretion in human pituitary ACTH-secreting tumors. Pituitary 17(5): 464-469
Schold, J.D.; Kaplan, B. 2009: AZA/tacrolimus is associated with similar outcomes as MMF/tacrolimus among renal transplant recipients. American Journal of Transplantation: Official Journal of the American Society of Transplantation and the American Society of Transplant Surgeons 9(9): 2067-2074
Egan, T.D.; Obara, S.; Jenkins, T.E.; Jaw-Tsai, S.S.; Amagasu, S.; Cook, D.R.; Steffensen, S.C.; Beattie, D.T. 2012: AZD-3043: a novel, metabolically labile sedative-hypnotic agent with rapid and predictable emergence from hypnosis. Anesthesiology 116(6): 1267-1277
Norman, P. 2009: AZD-4818, a chemokine CCR1 antagonist: WO2008103126 and WO2009011653. Expert Opinion on Therapeutic Patents 19(11): 1629-1633
Libertini, S.; Abagnale, A.; Passaro, C.; Botta, G.; Barbato, S.; Chieffi, P.; Portella, G. 2011: AZD1152 negatively affects the growth of anaplastic thyroid carcinoma cells and enhances the effects of oncolytic virus dl922-947. Endocrine-Related Cancer 18(1): 129-141
Oke, A.; Pearce, D.; Wilkinson, R.W.; Crafter, C.; Odedra, R.; Cavenagh, J.; Fitzgibbon, J.; Lister, A.T.; Joel, S.; Bonnet, D. 2009: AZD1152 rapidly and negatively affects the growth and survival of human acute myeloid leukemia cells in vitro and in vivo. Cancer Research 69(10): 4150-4158
Wilkinson, R.W.; Odedra, R.; Heaton, S.P.; Wedge, S.R.; Keen, N.J.; Crafter, C.; Foster, J.R.; Brady, M.C.; Bigley, A.; Brown, E.; Byth, K.F.; Barrass, N.C.; Mundt, K.E.; Foote, K.M.; Heron, N.M.; Jung, F.H.; Mortlock, A.A.; Boyle, F.T.; Green, S. 2007: AZD1152, a selective inhibitor of Aurora B kinase, inhibits human tumor xenograft growth by inducing apoptosis. Clinical Cancer Research: An Official Journal of the American Association for Cancer Research 13(12): 3682-3688
Zekri, A.; Ghaffari, S.H.; Ghanizadeh-Vesali, S.; Yaghmaie, M.; Salmaninejad, A.; Alimoghaddam, K.; Modarressi, M.H.; Ghavamzadeh, A. 2015: AZD1152-HQPA induces growth arrest and apoptosis in androgen-dependent prostate cancer cell line (LNCaP) via producing aneugenic micronuclei and polyploidy. Tumour Biology: the Journal of the International Society for Oncodevelopmental Biology and Medicine 36(2): 623-632
Keeton, E.K.; McEachern, K.; Dillman, K.S.; Palakurthi, S.; Cao, Y.; Grondine, M.R.; Kaur, S.; Wang, S.; Chen, Y.; Wu, A.; Shen, M.; Gibbons, F.D.; Lamb, M.L.; Zheng, X.; Stone, R.M.; Deangelo, D.J.; Platanias, L.C.; Dakin, L.A.; Chen, H.; Lyne, P.D.; Huszar, D. 2014: AZD1208, a potent and selective pan-Pim kinase inhibitor, demonstrates efficacy in preclinical models of acute myeloid leukemia. Blood 123(6): 905-913
Burashnikov, A.; Zygmunt, A.C.; Di Diego, J.M.; Linhardt, G.; Carlsson, L.; Antzelevitch, C. 2010: AZD1305 exerts atrial predominant electrophysiological actions and is effective in suppressing atrial fibrillation and preventing its reinduction in the dog. Journal of Cardiovascular Pharmacology 56(1): 80-90
Couto, J.P.; Almeida, A.; Daly, L.; Sobrinho-Simões, M.; Bromberg, J.F.; Soares, P. 2012: AZD1480 blocks growth and tumorigenesis of RET- activated thyroid cancer cell lines. Plos one 7(10): E46869
Sun, Z.-L.; Tang, Y.-J.; Wu, W.-G.; Xing, J.; He, Y.-F.; Xin, D.-M.; Yu, Y.-L.; Yang, Y.; Han, P. 2013: AZD1480 can inhibit the biological behavior of ovarian cancer SKOV3 cells in vitro. Asian Pacific Journal of Cancer Prevention: Apjcp 14(8): 4823-4827
Maenhout, S.K.; Du Four, S.; Corthals, J.; Neyns, B.; Thielemans, K.; Aerts, J.L. 2014: AZD1480 delays tumor growth in a melanoma model while enhancing the suppressive activity of myeloid-derived suppressor cells. Oncotarget 5(16): 6801-6815
Wang, S.-W.; Hu, J.; Guo, Q.-H.; Zhao, Y.; Cheng, J.-J.; Zhang, D.-S.; Fei, Q.; Li, J.; Sun, Y.-M. 2014: AZD1480, a JAK inhibitor, inhibits cell growth and survival of colorectal cancer via modulating the JAK2/STAT3 signaling pathway. Oncology Reports 32(5): 1991-1998
Takeda, M.; Arao, T.; Yokote, H.; Komatsu, T.; Yanagihara, K.; Sasaki, H.; Yamada, Y.; Tamura, T.; Fukuoka, K.; Kimura, H.; Saijo, N.; Nishio, K. 2007: AZD2171 shows potent antitumor activity against gastric cancer over-expressing fibroblast growth factor receptor 2/keratinocyte growth factor receptor. Clinical Cancer Research: An Official Journal of the American Association for Cancer Research 13(10): 3051-3057
Johnson, A.E.; Jeppsson, F.; Sandell, J.; Wensbo, D.; Neelissen, J.A.M.; Juréus, A.; Ström, P.; Norman, H.; Farde, L.; Svensson, S.P.S. 2009: AZD2184: a radioligand for sensitive detection of beta-amyloid deposits. Journal of Neurochemistry 108(5): 1177-1186
Loddick, S.A.; Ross, S.J.; Thomason, A.G.; Robinson, D.M.; Walker, G.E.; Dunkley, T.P.J.; Brave, S.R.; Broadbent, N.; Stratton, N.C.; Trueman, D.; Mouchet, E.; Shaheen, F.S.; Jacobs, V.N.; Cumberbatch, M.; Wilson, J.; Jones, R.D.O.; Bradbury, R.H.; Rabow, A.; Gaughan, L.; Womack, C.; Barry, S.T.; Robson, C.N.; Critchlow, S.E.; Wedge, S.R.; Brooks, A.N. 2013: AZD3514: a small molecule that modulates androgen receptor signaling and function in vitro and in vivo. Molecular Cancer Therapeutics 12(9): 1715-1727
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Jucaite, A.; Takano, A.; Boström, E.; Jostell, K.-G.; Stenkrona, P.; Halldin, C.; Segerdahl, M.är.; Nyberg, S. 2013: AZD5213: a novel histamine H3 receptor antagonist permitting high daytime and low nocturnal H3 receptor occupancy, a PET study in human subjects. International Journal of Neuropsychopharmacology 16(6): 1231-1239
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Chuah, W.Y.; Stranger, R.; Pace, R.J.; Krausz, E.; Frankcombe, T.J. 2014: Ab Initio modeling of the effect of oxidation coupled with HnO deprotonation on carboxylate ligands in Mn/Ca clusters. Journal of Physical Chemistry. B 118(13): 3553-3558
Spirin, A.S. 2007: Ab Ovo Usque Ad Mala. Biochemistry. Biokhimiia 72(12): 1281-1283
McClelland, E.E.; Nicola, A.é M.; Prados-Rosales, R.; Casadevall, A. 2010: Ab binding alters gene expression in Cryptococcus neoformans and directly modulates fungal metabolism. Journal of Clinical Investigation 120(4): 1355-1361
Grieshaber, M.C. 2012: Ab externo Schlemm's canal surgery: viscocanalostomy and canaloplasty. Developments in Ophthalmology 50: 109-124
Chung, E.J.; Kim, C.Y.; Koh, H.J. 2007: Ab externo direct suture technique for dislocated intraocular lens. Journal of Cataract and Refractive Surgery 33(6): 955-958
Zandian, M.; Moghimi, S.; Fallah, M.; Crandall, A. 2010: Ab externo iris fixation of posterior chamber intraocular lens through small incision. Journal of Cataract and Refractive Surgery 36(12): 2032-2034
Wiwatwongwana, A.; Ittipunkul, N.; Wiwatwongwana, D. 2012: Ab externo laser photocoagulation for the treatment of spontaneous iris stromal cyst. Graefe's Archive for Clinical and Experimental Ophthalmology 250(1): 155-156
Cortés-Gastélum, M.Antonio.; Paczka-Zapata, Jé.Antonio.; Mendoza-Barbosa, Jé.Fernando. 2011: Ab externo trabeculectomy performed under topical anesthesia supplemented by conscious sedation. Cirugia y Cirujanos 79(3): 215-9 233-8
Gryaznov, D.; Heifets, E.; Kotomin, E. 2009: Ab initio DFT+U study of he atom incorporation into UO(2) crystals. Physical Chemistry Chemical Physics: Pccp 11(33): 7241-7247
Antipova, V.N.; Zheleznaya, L.A.; Zyrina, N.V. 2014: Ab initio DNA synthesis by Bst polymerase in the presence of nicking endonucleases Nt.AlwI, Nb.BbvCI, and Nb.BsmI. Fems Microbiology Letters 357(2): 144-150
Del Bene, J.E.; Alkorta, I.; Elguero, J.é 2010: Ab initio EOM-CCSD investigation of one-bond C-C, N-C, and N-N spin-spin coupling constants in fluoroazines. Journal of Physical Chemistry. a 114(15): 5205-5210
Del Bene, J.E.; Alkorta, I.; Elguero, J.é 2008: Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: bridging complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2. Journal of Physical Chemistry. a 112(28): 6338-6343
Trevisanutto, P.E.; Giorgetti, C.; Reining, L.; Ladisa, M.; Olevano, V. 2008: Ab initio GW many-body effects in graphene. Physical Review Letters 101(22): 226405
Allolio, C.; Klameth, F.; Vogel, M.; Sebastiani, D. 2014: Ab initio H2O in realistic hydrophilic confinement. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 15(18): 3955-3962
Nagabalasubramanian, P.B.; Periandy, S.; Mohan, S. 2010: Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of alpha-chlorotoluene. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 77(1): 150-159
Taşal, E.; Kumalar, M. 2013: Ab initio HF, DFT and experimental (FT-IR) investigation of vibrational spectroscopy of 3-(2-(4-isopropylpiperazin-1-yl)-2-oxoethyl)-6-(4-methoxybenzoyl)benzo[d]thiazol-2(3H)-one. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 101: 204-217
El-Nahass, M.M.; Kamel, M.A.; el-Deeb, A.F.; Atta, A.A.; Huthaily, S.Y. 2011: Ab initio HF, DFT and experimental (FT-IR) investigation of vibrational spectroscopy of P-N,N-dimethylaminobenzylidenemalononitrile (DBM). Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 79(3): 443-450
Taşal, E.; Kumalar, M. 2012: Ab initio Hartree-Fock and density functional theory investigations on the conformational stability, molecular structure and vibrational spectra of 5-chloro-3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one drug molecule. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 95: 282-299
Buyukuslu, H.; Akdogan, M.; Yildirim, G.; Parlak, C. 2010: Ab initio Hartree-Fock and density functional theory study on characterization of 3-(5-methylthiazol-2-yldiazenyl)-2-phenyl-1H-indole. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 75(4): 1362-1369
Ucun, F.; Güçlü, V.; Sağlam, A. 2008: Ab initio Hartree-Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine. Spectrochimica Acta. Part A Molecular and Biomolecular Spectroscopy 70(3): 524-531
Avci, D.; Cömert, H.üs.; Atalay, Y. 2008: Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores. Journal of Molecular Modeling 14(2): 161-169
Chen, J.-C.; Reischl, B.; Spijker, P.; Holmberg, N.; Laasonen, K.; Foster, A.S. 2014: Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface. Physical Chemistry Chemical Physics: Pccp 16(41): 22545-22554
Lanza, G.; Chiacchio, M.A. 2014: Ab initio MP2 and density functional theory computational study of AcAlaNH2 peptide hydration: a bottom-up approach. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 15(13): 2785-2793
Li, R.; Wei, C.; Sun, Q.; Sun, E.; Xu, H.; Yan, B. 2013: Ab initio MRCI+Q study on low-lying states of CS including spin-orbit coupling. Journal of Physical Chemistry. a 117(11): 2373-2382
Kurosaki, Y.; Yokoyama, K. 2012: Ab initio MRSDCi study on the low-lying electronic states of the lithium chloride molecule (LiCl). Journal of Chemical Physics 137(6): 064305
Tan, H.-J.; Bettens, R.P.A. 2013: Ab initio NMR chemical-shift calculations based on the combined fragmentation method. Physical Chemistry Chemical Physics: Pccp 15(20): 7541-7547
Matsubara, T.; Dupuis, M.; Aida, M. 2007: Ab initio ONIOM-molecular dynamics (MD) study on the deamination reaction by cytidine deaminase. Journal of Physical Chemistry. B 111(33): 9965-9974
Fang, D.; Lord, R.L.; Cisneros, G.Andrés. 2013: Ab initio QM/MM calculations show an intersystem crossing in the hydrogen abstraction step in dealkylation catalyzed by AlkB. Journal of Physical Chemistry. B 117(21): 6410-6420
Xu, J.; Zhang, J.Z.H.; Xiang, Y. 2012: Ab initio QM/MM free energy simulations of peptide bond formation in the ribosome support an eight-membered ring reaction mechanism. Journal of the American Chemical Society 134(39): 16424-16429
Ke, Z.; Guo, H.; Xie, D.; Wang, S.; Zhang, Y. 2011: Ab initio QM/MM free-energy studies of arginine deiminase catalysis: the protonation state of the Cys nucleophile. Journal of Physical Chemistry. B 115(13): 3725-3733
Kina, D.; Nakayama, A.; Noro, T.; Taketsugu, T.; Gordon, M.S. 2008: Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution. Journal of Physical Chemistry. a 112(40): 9675-9683
Xu, D.; Guo, H. 2008: Ab initio QM/MM studies of the phosphoryl transfer reaction catalyzed by PEP mutase suggest a dissociative metaphosphate transition state. Journal of Physical Chemistry. B 112(13): 4102-4108
Sladek, V.; Bučinský, L.áš; Matuška, J.án.; Ilčin, M.; Lukeš, V.ír.; Laurinc, V. 2014: Ab initio X(1)0(+) ground state potential curves of Pb···RG dimers (RG = He, Ne, Ar) including spin-orbit effects. Simulation of diffusion coefficients. Physical Chemistry Chemical Physics: Pccp 16(34): 18519-18532
Chaboy, J.ús.; Díaz-Moreno, S.ía. 2011: Ab initio X-ray absorption spectroscopy study of the solvation structure of Th(IV), U(IV), and Np(IV) in aqueous solution. Journal of Physical Chemistry. a 115(11): 2345-2349
Díaz-Moreno, S.ía.; Chaboy, J.ús. 2009: Ab initio X-ray absorption spectroscopy study of the solvation structure of yttrium (III) in dimethyl sulfoxide. Journal of Physical Chemistry. B 113(11): 3527-3535
Habli, H.él.; Dardouri, R.; Oujia, B.; Gadéa, F.X. 2011: Ab initio adiabatic and diabatic energies and dipole moments of the CaH+ molecular ion. Journal of Physical Chemistry. a 115(48): 14045-14053
Xavier, F.G.D.; Kumar, S. 2010: Ab initio adiabatic and quasidiabatic potential energy surfaces of lowest four electronic states of the H+ + O2 system. Journal of Chemical Physics 133(16): 164304
Setzer, W.N. 2008: Ab initio analysis of the Cope rearrangement of germacrane sesquiterpenoids. Journal of Molecular Modeling 14(5): 335-342
Li, H.-C.; Lee, C.-Y.; McCabe, C.; Striolo, A.; Neurock, M. 2007: Ab initio analysis of the structural properties of alkyl-substituted polyhedral oligomeric silsesquioxanes. Journal of Physical Chemistry. a 111(18): 3577-3584
Honghong, C.; Congcong, Y.; Xing, L.; Wenlong, W.; Xianyong, P.; Yan, Q. 2014: Ab initio analysis on the interaction of CO2 binding to peracetated D-glucopyranose. Journal of Molecular Modeling 20(6): 2259
Maschio, L.; Kirtman, B.; Rérat, M.; Orlando, R.; Dovesi, R. 2013: Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory. Journal of Chemical Physics 139(16): 164101
Maschio, L.; Kirtman, B.; Rérat, M.; Orlando, R.; Dovesi, R. 2013: Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments. Journal of Chemical Physics 139(16): 164102
Maschio, L.; Kirtman, B.; Orlando, R.; Rèrat, M. 2012: Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method. Journal of Chemical Physics 137(20): 204113
Raghavendra, B.; Mandal, P.K.; Arunan, E. 2006: Ab initio and AIM theoretical analysis of hydrogen-bond radius of HD (D = F, Cl, Br, CN, HO, HS and CCH) donors and some acceptors. Physical Chemistry Chemical Physics: Pccp 8(45): 5276-5286
Atsumi, M.; Lindh, R.; González, L.; Gourlaouen, C.; Daniel, C. 2013: Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au). Physical Chemistry Chemical Physics: Pccp 15(25): 10151-10157
Do Monte, S.A.; de Andrade, R.B.; Ventura, E.; de Santana, S.R. 2012: Ab initio and DFT conformational study on N-nitrosodiethylamine, (C2H5)2N-N=O. Journal of Molecular Modeling 18(1): 339-350
Zvereva, E.E.; Shagidullin, A.R.; Katsyuba, S.A. 2011: Ab initio and DFT predictions of infrared intensities and Raman activities. Journal of Physical Chemistry. a 115(1): 63-69
Sugisaki, K.; Toyota, K.; Sato, K.; Shiomi, D.; Kitagawa, M.; Takui, T. 2011: Ab initio and DFT studies of the spin-orbit and spin-spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds. Physical Chemistry Chemical Physics: Pccp 13(15): 6970-6980
Srivastava, S.K.; Singh, V.B. 2013: Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 115: 45-50
Boo, B.Hyun.; Im, S.; Lee, S. 2010: Ab initio and DFT studies of the thermal rearrangement of trimethylsilyl(methyl)silylene: remarkable rearrangements of silicon intermediates. Journal of Computational Chemistry 31(1): 154-163
Mandal, A.; Prakash, M.; Kumar, R.M.; Parthasarathi, R.; Subramanian, V. 2010: Ab initio and DFT studies on methanol-water clusters. Journal of Physical Chemistry. a 114(6): 2250-2258
Niazazari, N.; Zatikyan, A.L.; Markarian, S.A. 2013: Ab initio and DFT study of hydrogen bond interactions between ascorbic acid and dimethylsulfoxide based on FT-IR and FT-Raman spectra. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 110: 217-225
Yang, B.; Zhang, Q.; Zhong, J.; Huang, S.; Zhang, H.-X. 2012: Ab initio and DFT study of luminescent cyclometalated N-heterocyclic carbene organogold(III) complexes. Journal of Molecular Modeling 18(6): 2543-2551
Montero-Campillo, M.M.; Rodríguez-Otero, J.ús.; Cabaleiro-Lago, E.M. 2007: Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene. Journal of Molecular Modeling 13(8): 919-926
Tosso, R.D.; Zamora, M.A.; Suvire, F.D.; Enriz, R.D. 2009: Ab initio and DFT study of the conformational energy hypersurface of cyclic Gly-Gly-Gly. Journal of Physical Chemistry. a 113(40): 10818-10825
Abbasoglu, R. 2007: Ab initio and DFT study of the inner mechanism and dynamic stereochemistry of electrophilic addition reaction of bromine to bisbenzotetracyclo[6.2.2.2(3,6).0 (2,7)]tetradeca-4,9,11,13-tetraene. Journal of Molecular Modeling 13(12): 1215-1220
Rickard, G.A.; Bergès, J.; Houèe-Levin, C.; Rauk, A. 2008: Ab initio and QM/MM study of electron addition on the disulfide bond in thioredoxin. Journal of Physical Chemistry. B 112(18): 5774-5787
Homayoon, Z.; Vázquez, S.A.; Rodríguez-Fernández, R.; Martínez-Núñez, E. 2011: Ab initio and RRKM study of the HCN/HNC elimination channels from vinyl cyanide. Journal of Physical Chemistry. a 115(6): 979-985
Yu, H.-G.; Francisco, J.S. 2009: Ab initio and RRKM study of the reaction of ClO with HOCO radicals. Journal of Physical Chemistry. a 113(46): 12932-12941
Koutsioubas, A.; Berthaud, A.; Mangenot, S.ép.; Pérez, J. 2013: Ab initio and all-atom modeling of detergent organization around Aquaporin-0 based on SAXS data. Journal of Physical Chemistry. B 117(43): 13588-13594
Du, S.; Francisco, J.S.; Schenter, G.K.; Garrett, B.C. 2007: Ab initio and analytical intermolecular potential for ClO-H2O. Journal of Chemical Physics 126(11): 114304
Rana, M.K.; Chandra, A. 2013: Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet. Journal of Chemical Physics 138(20): 204702
Zein, S.; Neese, F. 2008: Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in MnIi transition metal complexes. Journal of Physical Chemistry. a 112(34): 7976-7983
Guédira, F.; Castellà-Ventura, M.; Zaydoun, S.; Elhajji, A.; Lautié, A.; Saidi Idrissi, M. 2009: Ab initio and density functional study of the geometrical, electronic and vibrational properties of 3,4'-bi-1,2,4-triazole. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 73(4): 738-746
Boda, A.; Ali, S.M.; Rao, H.; Ghosh, S.K. 2012: Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor and electronic induction. Journal of Molecular Modeling 18(8): 3507-3522
Roy, D.; Sunoj, R.B. 2007: Ab initio and density functional theory evidence on the rate-limiting step in the Morita-Baylis-Hillman reaction. Organic Letters 9(23): 4873-4876
Vasantha Kumar, V.; Goud, S.L.; Laxmikanth Rao, J. 2013: Ab initio and density functional theory studies on vibrational spectra of 3-hydroxy-3-(2-methyl-1H-indol-3-yl)indolin-2-one. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 103: 304-310
Tadić, J.M.; Xu, L. 2012: Ab initio and density functional theory study of keto-enol equilibria of deltic acid in gas and aqueous solution phase: a bimolecular proton transfer mechanism. Journal of Organic Chemistry 77(19): 8621-8626
Yu, H.-G.; Francisco, J.S.; Muckerman, J.T. 2008: Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO. Journal of Chemical Physics 129(6): 064301
Troya, D.; Mosch, M.; O'Neill, K.A. 2009: Ab initio and dynamics study of the O(3P) + NH3 and O(3P) + N2H4 reactions at hyperthermal collision energies. Journal of Physical Chemistry. a 113(50): 13863-13870
Lee, Y.-L.; Morgan, D. 2012: Ab initio and empirical defect modeling of LaMnO(3±δ) for solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics: Pccp 14(1): 290-302
Neelamraju, S.; Schön, J.C.; Doll, K.; Jansen, M. 2012: Ab initio and empirical energy landscapes of (MgF2)n clusters (n = 3, 4). Physical Chemistry Chemical Physics: Pccp 14(3): 1223-1234
Coudert, L.H.; Garcia-Fernandez, P.; Mäder, H.; Demaison, J.; Boggs, J.E. 2008: Ab initio and experimental studies of the large-amplitude motion in BF2OH. Journal of Physical Chemistry. a 112(7): 1536-1544
Gupta, V.P.; Thul, P.; Mishra, S.; Pratap, R.; Ram, V.J. 2009: Ab initio and experimental studies on structure and vibrational spectra of some partially reduced benzo[c]phenanthrenes. Spectrochimica Acta. Part A Molecular and Biomolecular Spectroscopy 72(1): 82-101
Walsh, I.; Martin, A.J.M.; Mooney, C.; Rubagotti, E.; Vullo, A.; Pollastri, G. 2009: Ab initio and homology based prediction of protein domains by recursive neural networks. Bmc Bioinformatics 10: 195
Zhou, C-Wen.; Simmie, J.M.; Curran, H.J. 2011: Ab initio and kinetic study of the reaction of ketones with OH for T = 500-2000 K. Part I: hydrogen-abstraction from H3CC(O)CH(3-x)(CH3)x, x = 0 ↦ 2. Physical Chemistry Chemical Physics: Pccp 13(23): 11175-11192
Allouche, A.R.; Aubert-Frécon, M. 2011: Ab initio and long-range investigation of the Ω((+∕-)) states of NaK dissociating adiabatically up to Na(3s 2S(1/2)) + K(3d 2D(3/2)). Journal of Chemical Physics 135(2): 024309
Saharay, M.; Kirkpatrick, R.J. 2014: Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situations. Physical Chemistry Chemical Physics: Pccp 16(48): 26843-26854
Berski, S.; Latajka, Z.; Gordon, A.J. 2010: Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT. Journal of Computational Chemistry 31(14): 2555-2567
Ruud, K.; Demissie, T.B.; Jaszuński, M.ł 2014: Ab initio and relativistic DFT study of spin-rotation and NMR shielding constants in XF₆ molecules, X = S, Se, Te, Mo, and W. Journal of Chemical Physics 140(19): 194308
Gerber, R.B.; Shemesh, D.; Varner, M.E.; Kalinowski, J.; Hirshberg, B. 2014: Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters. Physical Chemistry Chemical Physics: Pccp 16(21): 9760-9775
Caciuc, V.; Atodiresei, N.; Callsen, M.; Lazić, P.; Blügel, S. 2012: Ab initio and semi-empirical van der Waals study of graphene-boron nitride interaction from a molecular point of view. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(42): 424214
Casali, R.A.; Lasave, J.; Caravaca, M.A.; Koval, S.; Ponce, C.A.; Migoni, R.L. 2013: Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure. Journal of Physics. Condensed Matter: An Institute of Physics Journal 25(13): 135404
Walsh, I.; Baù, D.; Martin, A.J.M.; Mooney, C.; Vullo, A.; Pollastri, G. 2009: Ab initio and template-based prediction of multi-class distance maps by two-dimensional recursive neural networks. Bmc Structural Biology 9: 5
Cané, E.; Fusina, L.; Lamarra, M.; Tarroni, R.; Burczyk, K. 2008: Ab initio anharmonic force field and rotational analyses of infrared bands of perchloryl fluoride. Journal of Physical Chemistry. a 112(51): 13729-13736
Terrill, K.; Nesbitt, D.J. 2010: Ab initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC-H(+)-CO and N(2)-H(+)-N(2). Physical Chemistry Chemical Physics: Pccp 12(29): 8311-8322
Almeida, T.S.; Cabral, B.J.C. 2010: Ab initio approach to the electronic properties of sodium-ammonia clusters: comparison with ammonia clusters. Journal of Chemical Physics 132(9): 094307
Zhukov, V.P.; Chulkov, E.V. 2010: Ab initio approach to the excited electron dynamics in rutile and anatase TiO2. Journal of Physics. Condensed Matter: An Institute of Physics Journal 22(43): 435802
Ashcraft, R.W.; Raman, S.; Green, W.H. 2007: Ab initio aqueous thermochemistry: application to the oxidation of hydroxylamine in nitric acid solution. Journal of Physical Chemistry. B 111(41): 11968-11983
Sawada, T.; Hashimoto, T.; Tokiwa, H.; Suzuki, T.; Nakano, H.; Ishida, H.; Kiso, M.; Suzuki, Y. 2008: Ab initio base fragment molecular orbital studies of influenza viral hemagglutinin HA1 full-domains in complex with sialoside receptors. Journal of Molecular and Genetic Medicine: An International Journal of Biomedical Research 3(1): 133-142
Volk, D.E.; Thiviyanathan, V.; Somasunderam, A.; Gorenstein, D.G. 2007: Ab initio base-pairing energies of an oxidized thymine product, 5-formyluracil, with standard DNA bases at the BSSE-free DFT and MP2 theory levels. Organic and Biomolecular Chemistry 5(10): 1554-1558
Joseph, S.; Varandas, A.J.C. 2010: Ab initio based DMBE potential energy surface for the ground electronic state of the C(2)H molecule. Journal of Physical Chemistry. a 114(7): 2655-2664
Petrov, M.; Lymperakis, L.; Friák, M.; Neugebauer, J.ör. 2013: Ab initio based conformational study of the crystalline α-chitin. Biopolymers 99(1): 22-34
Galvão, B.R.L.; Varandas, A.J.C. 2011: Ab initio based double-sheeted DMBE potential energy surface for N3(2A″) and exploratory dynamics calculations. Journal of Physical Chemistry. a 115(44): 12390-12398
Kwak, H.; Shin, Y.K.; van Duin, A.C.T.; Vasenkov, A.V. 2012: Ab initio based multiscale modeling of alloy surface segregation. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(48): 485006
Beck, P.; Brommer, P.; Roth, J.; Trebin, H.-R. 2011: Ab initio based polarizable force field generation and application to liquid silica and magnesia. Journal of Chemical Physics 135(23): 234512
Masia, M. 2008: Ab initio based polarizable force field parametrization. Journal of Chemical Physics 128(18): 184107
Monge-Palacios, M.; Rangel, C.; Espinosa-Garcia, J. 2013: Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction. Journal of Chemical Physics 138(8): 084305
Cui, G.; Fang, W. 2011: Ab initio based surface-hopping dynamics study on ultrafast internal conversion in cyclopropanone. Journal of Physical Chemistry. a 115(9): 1547-1555
Suárez, D.; Rayón, V.íc.M.; Díaz, N.; Valdés, H.ée. 2011: Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies. Journal of Physical Chemistry. a 115(41): 11331-11343
Jabbari, G.; Klaiman, S.; Chiang, Y.-C.; Trinter, F.; Jahnke, T.; Gokhberg, K. 2014: Ab initio calculation of ICD widths in photoexcited HeNe. Journal of Chemical Physics 140(22): 224305
Chibotaru, L.F.; Ungur, L. 2012: Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation. Journal of Chemical Physics 137(6): 064112
An, W.; Shao, N.; Bulusu, S.; Zeng, X.C. 2008: Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24. Journal of Chemical Physics 128(8): 084301
Uhl, F.; Staemmler, V. 2012: Ab initio calculation of correlation effects for the O 1s core electron binding energy in MgO. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(30): 305501
Eisfeld, W. 2005: Ab initio calculation of electronic absorption spectra and ionization potentials of C3H3 radicals. Physical Chemistry Chemical Physics: Pccp 7(23): 3924-3932
Pedersen, T.G.; Modak, P.; Pedersen, K.; Christensen, N.E.; Kjeldsen, M.M.; Larsen, A.N. 2009: Ab initio calculation of electronic and optical properties of metallic tin. Journal of Physics. Condensed Matter: An Institute of Physics Journal 21(11): 115502
Wen, J.; Hu, L.; Yin, M.; Xia, S. 2011: Ab initio calculation of electronic structure and 4f-5d transition energies of Ce3+ doped in Y3Al5O12 nanocrystals. Journal of Nanoscience and Nanotechnology 11(11): 9550-9555
Zeng, H.; You, J.-L.; Chen, H.; Jiang, G.-C. 2007: Ab initio calculation of hyperfine structure and Raman spectra of binary alkali metal silicates. Guang Pu Xue Yu Guang Pu Fen Xi 27(6): 1143-1147
Kolorenc, P.; Averbukh, V.; Gokhberg, K.; Cederbaum, L.S. 2008: Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters. Journal of Chemical Physics 129(24): 244102
Ghosh, S. 2008: Ab initio calculation of lattice dynamics in FePd intermetallics. Journal of Physics. Condensed Matter: An Institute of Physics Journal 20(27): 275208
Lee, D.; Greenman, L.; Sarovar, M.; Whaley, K.B. 2013: Ab initio calculation of molecular aggregation effects: a Coumarin-343 case study. Journal of Physical Chemistry. a 117(43): 11072-11085
Mihelic, A.; Zitnik, M. 2007: Ab initio calculation of photoionization and inelastic photon scattering spectra of he below the N=2 threshold in a dc electric field. Physical Review Letters 98(24): 243002
Yamamoto, T.; Kato, S. 2007: Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation: a ubiquinol complex in solution. Journal of Chemical Physics 126(22): 224514
Gaff, J.F.; Franzen, S.; Delley, B. 2010: Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization. Journal of Physical Chemistry. a 114(43): 11681-11690
Sehnert, J.; Baerwinkel, K.; Senker, J. 2007: Ab initio calculation of solid-state NMR spectra for different triazine and heptazine based structure proposals of g-C3N4. Journal of Physical Chemistry. B 111(36): 10671-10680
Verstraete, M.J. 2013: Ab initio calculation of spin-dependent electron-phonon coupling in iron and cobalt. Journal of Physics. Condensed Matter: An Institute of Physics Journal 25(13): 136001
Wang, J.; Albina, J.-M.; Umeno, Y. 2012: Ab initio calculation of strain effect on the magnetic properties of the thiogermanate [(CH3)4N]2FeGe4S10. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(24): 245501
Sládek, V.ír.; Lukeš, V.ír.; Ilčin, M.; Biskupič, S. 2012: Ab initio calculation of structure and transport properties of He…X (X = Zn, Cd, Hg) van der Waals complexes. Journal of Computational Chemistry 33(7): 767-778
Lopez del Puerto, M.; Tiago, M.L.; Chelikowsky, J.R. 2007: Ab initio calculation of temperature effects in the optical response of open-shell sodium clusters. Journal of Chemical Physics 127(14): 144311
Ebert, H.; Mankovsky, S.; Ködderitzsch, D.; Kelly, P.J. 2011: Ab initio calculation of the Gilbert damping parameter via the linear response formalism. Physical Review Letters 107(6): 066603
Epelbaum, E.; Krebs, H.; Lee, D.; Meissner, U.-G. 2011: Ab initio calculation of the Hoyle state. Physical Review Letters 106(19): 192501
Quarti, C.; Milani, A.; Castiglioni, C. 2013: Ab initio calculation of the IR spectrum of PTFE: helical symmetry and defects. Journal of Physical Chemistry. B 117(2): 706-718
Martinez-Casado, R.; Mallia, G.; Harrison, N.M. 2011: Ab initio calculation of the MgO(100) interaction with he and Ne: a HF + MP2 and HF + MP2(B3LYP) comparison. Chemical Communications 47(42): 11630-11632
Zilibotti, G.; Righi, M.C. 2011: Ab initio calculation of the adhesion and ideal shear strength of planar diamond interfaces with different atomic structure and hydrogen coverage. Langmuir 27(11): 6862-6867
Quarti, C.; Milani, A.; Civalleri, B.; Orlando, R.; Castiglioni, C. 2012: Ab initio calculation of the crystalline structure and IR spectrum of polymers: nylon 6 polymorphs. Journal of Physical Chemistry. B 116(28): 8299-8311
Phillips, H.; Zheng, S.; Hyla, A.; Laine, R.; Goodson, T.; Geva, E.; Dunietz, B.D. 2012: Ab initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range-separated hybrid functionals. Journal of Physical Chemistry. a 116(4): 1137-1145
Martiniano, H.F.M.C.; Galamba, N.; Cabral, B.J.C. 2014: Ab initio calculation of the electronic absorption spectrum of liquid water. Journal of Chemical Physics 140(16): 164511
Reshak, A.H.; Stys, D.; Auluck, S.; Kityk, I.V. 2009: Ab initio calculation of the electronic band structure, density of states and optical properties of alpha-2-methyl-1-nitroisothiourea. Journal of Physical Chemistry. B 113(38): 12648-12654
Tomonari, M.; Nagashima, U.; Hirano, T. 2009: Ab initio calculation of the electronic structures of the (7)Sigma+ ground and a (7)Pi and a (5)Sigma+ excited states of MnH. Journal of Chemical Physics 130(15): 154105
Tomonari, M.; Okuda, R.; Nagashima, U.; Tanaka, K.; Hirano, T. 2007: Ab initio calculation of the electronic structures of the 3Phi ground and 5Phi excited states of CoH. Journal of Chemical Physics 126(14): 144307
Zhao, Y.-R.; Kuang, X.-Y.; Zheng, B.-B.; Wang, S.-J.; Li, Y.-F. 2012: Ab initio calculation of the geometries, stabilities, and electronic properties for the bimetallic Be2Au(n) (n = 1-9) clusters: comparison with pure gold clusters. Journal of Molecular Modeling 18(1): 275-283
Koziol, L.; Mozhayskiy, V.A.; Braams, B.J.; Bowman, J.M.; Krylov, A.I. 2009: Ab initio calculation of the photoelectron spectra of the hydroxycarbene diradicals. Journal of Physical Chemistry. a 113(27): 7802-7809
Timko, J.; De Castro, A.; Kuyucak, S. 2011: Ab initio calculation of the potential of mean force for dissociation of aqueous Ca-Cl. Journal of Chemical Physics 134(20): 204510
Cassam-Chenaï, P.; Liévin, J. 2012: Ab initio calculation of the rotational spectrum of methane vibrational ground state. Journal of Chemical Physics 136(17): 174309
Epelbaum, E.; Krebs, H.; Lähde, T.A.; Lee, D.; Meissner, U.-G.; Rupak, G. 2014: Ab initio calculation of the spectrum and structure of (16)O. Physical Review Letters 112(10): 102501
Martin, N.H.; Caldwell, B.W.; Carlson, K.P.; Teague, M.R. 2009: Ab initio calculation of through-space magnetic shielding of linear polycyclic aromatic hydrocarbons (acenes): extent of aromaticity. Journal of Molecular Graphics and Modelling 27(6): 689-692
Drumm, D.W.; Budi, A.; Per, M.C.; Russo, S.P.; L Hollenberg, L.C. 2013: Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon. Nanoscale Research Letters 8(1): 111
Lu, D.; Li, Y.; Rocca, D.; Galli, G. 2009: Ab initio calculation of van der Waals bonded molecular crystals. Physical Review Letters 102(20): 206411
Rosli, A.N.; Zabidi, N.A.; Kassim, H.A.; Shrivastava, K.N. 2011: Ab initio calculation of vibrational frequencies and Raman spectra of barium peroxide glass including comparison of tetrahedral BaO4 with GeO4 and SiO4. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 79(5): 1251-1255
Matsumoto, N.; Nagara, H. 2007: Ab initio calculations for high-pressure phases of Ar(H(2))(2). Journal of Physics. Condensed Matter: An Institute of Physics Journal 19(36): 365237
Wimmer, E.; Najafabadi, R.; Young, G.A.; Ballard, J.D.; Angeliu, T.M.; Vollmer, J.; Chambers, J.J.; Niimi, H.; Shaw, J.B.; Freeman, C.; Christensen, M.; Wolf, W.; Saxe, P. 2010: Ab initio calculations for industrial materials engineering: successes and challenges. Journal of Physics. Condensed Matter: An Institute of Physics Journal 22(38): 384215
Bussery-Honvault, B.éa.; Hartmann, J.-M. 2014: Ab initio calculations for the far infrared collision induced absorption by N2 gas. Journal of Chemical Physics 140(5): 054309
Casabianca, L.B.; de Dios, A.C. 2008: Ab initio calculations of NMR chemical shifts. Journal of Chemical Physics 128(5): 052201
Shi, L.; Wang, L.-W. 2012: Ab initio calculations of deep-level carrier nonradiative recombination rates in bulk semiconductors. Physical Review Letters 109(24): 245501
Ullah, S.; Ishimoto, T.; Williamson, M.P.; Hansen, P.E. 2011: Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysines. Journal of Physical Chemistry. B 115(12): 3208-3215
Buonocore, F.; Trani, F.; Ninno, D.; Di Matteo, A.; Cantele, G.; Iadonisi, G. 2008: Ab initio calculations of electron affinity and ionization potential of carbon nanotubes. Nanotechnology 19(2): 025711
Bucko, T. 2008: Ab initio calculations of free-energy reaction barriers. Journal of Physics. Condensed Matter: An Institute of Physics Journal 20(6): 064211
Fišanová, J.; Cernušák, I.; Kellö, V.ír. 2012: Ab initio calculations of molecular properties of low-lying electronic states of 2-cyclopenten-1-one--link with biological activity. Journal of Molecular Modeling 18(10): 4751-4759
Glendening, E.D.; Halpern, A.M. 2007: Ab initio calculations of nitrogen oxide reactions: formation of N2O2, N2O3, N2O4, N2O5, and N4O2 from NO, NO2, NO3, and N2O. Journal of Chemical Physics 127(16): 164307
Rocca, D.; Lu, D.; Galli, G. 2010: Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory. Journal of Chemical Physics 133(16): 164109
Alam, T.M. 2013: Ab initio calculations of possible γ-gauche effects in the ¹³C-NMR for methine and carbonyl carbons in precise polyethylene acrylic acid copolymers. Molecules 18(8): 9010-9020
Banc, A.él.; Desbat, B.; Cavagnat, D. 2011: Ab initio calculations of proline vibrations with and without water: consequences on the infrared spectra of proline-rich proteins. Applied Spectroscopy 65(7): 817-819
Pontes, R.B.; Rocha, A.R.; Sanvito, S.; Fazzio, A.; da Silva, A.ôn.J.é R. 2011: Ab initio calculations of structural evolution and conductance of benzene-1,4-dithiol on gold leads. Acs Nano 5(2): 795-804
Zhang, J.-D.; Li, S.-J.; Tao, F.-M. 2013: Ab initio calculations of the Ar-ethane intermolecular potential energy surface using bond function basis sets. Journal of Computational Chemistry 34(8): 673-680
Ortigoza, M.A.án.; Rahman, T.S.; Heid, R.; Bohnen, K.-P. 2010: Ab initio calculations of the dispersion of surface phonons of a c(2 × 2) CO overlayer on Ag(001). Journal of Physics. Condensed Matter: An Institute of Physics Journal 22(39): 395001
Wang, L.; Tuo, X.; Yi, C.; Wang, X. 2008: Ab initio calculations of the effects of H+ and NH4+ on the initial decomposition of HMX. Journal of Molecular Graphics and Modelling 27(3): 388-393
Makinistian, L.; Albanesi, E.A. 2007: Ab initio calculations of the electronic and optical properties of germanium selenide. Journal of Physics. Condensed Matter: An Institute of Physics Journal 19(18): 186211
Jónsson, E.Ö; Thygesen, K.S.; Ulstrup, J.; Jacobsen, K.W. 2011: Ab initio calculations of the electronic properties of polypyridine transition metal complexes and their adsorption on metal surfaces in the presence of solvent and counterions. Journal of Physical Chemistry. B 115(30): 9410-9416
Alekseyev, A.B.; Buenker, R.J.; Liebermann, H.-P. 2011: Ab initio calculations of the electronic states of AsH2 including dissociation characteristics. Journal of Chemical Physics 135(24): 244303
Oreshko, A.P.; Ovchinnikova, E.N.; Beutier, G.; Collins, S.P.; Nisbet, G.; Kolchinskaya, A.M.; Dmitrienko, V.E. 2012: Ab initio calculations of the forbidden Bragg reflections energy spectra in wurtzites versus temperature. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(24): 245403
Steckel, J.A. 2012: Ab initio calculations of the interaction between CO2 and the acetate ion. Journal of Physical Chemistry. a 116(47): 11643-11650
Krishna, B.M.; Marquardt, R. 2012: Ab initio calculations of the lowest electronic states in the CuNO system. Journal of Chemical Physics 136(24): 244303
Wang, L.G.; van de Walle, A. 2012: Ab initio calculations of the melting temperatures of refractory bcc metals. Physical Chemistry Chemical Physics: Pccp 14(4): 1529-1534
Ratcliff, L.E.; Haynes, P.D. 2013: Ab initio calculations of the optical absorption spectra of C60-conjugated polymer hybrids. Physical Chemistry Chemical Physics: Pccp 15(31): 13024-13031
Gajewski, G.; Pao, C.-W. 2011: Ab initio calculations of the reaction pathways for methane decomposition over the Cu (111) surface. Journal of Chemical Physics 135(6): 064707
Reeswinkel, T.; Music, D.; Schneider, J.M. 2009: Ab initio calculations of the structure and mechanical properties of vanadium oxides. Journal of Physics. Condensed Matter: An Institute of Physics Journal 21(14): 145404
Umer, M.; Leonhard, K. 2013: Ab initio calculations of thermochemical properties of methanol clusters. Journal of Physical Chemistry. a 117(7): 1569-1582
Xuan, X.-p.; Xie, Y.-h.; Zhao, Y. 2010: Ab initio calculations of vibrational frequencies and structures of ion pairs of perchlorate. Guang Pu Xue Yu Guang Pu Fen Xi 30(9): 2537-2540
Van der Hartcor, W.J. 1995: Ab initio calculations on 1,2-hydrogen shifts in the benzene radical cation and on carbon scrambling via an isomerization to the fulvene structure. Journal of the American Society for Mass Spectrometry 6(6): 513-515
Lee, E.P.F.; Dyke, J.M.; Mok, D.K.W.; Chow, W.-k.; Chau, F.-t. 2007: Ab initio calculations on SnCl2 and Franck-Condon factor simulations of its ã-X and B-X absorption and single-vibronic-level emission spectra. Journal of Chemical Physics 127(2): 024308
Lu, Y.-X.; Zou, J.-W.; Fan, J.-C.; Zhao, W.-N.; Jiang, Y.-J.; Yu, Q.-S. 2009: Ab initio calculations on halogen-bonded complexes and comparison with density functional methods. Journal of Computational Chemistry 30(5): 725-732
Anconi, C.P.A.; Nascimento, C.S.; Fedoce-Lopes, J.; Dos Santos, H.él.F.; De Almeida, W.B. 2007: Ab initio calculations on low-energy conformers of alpha-cyclodextrin. Journal of Physical Chemistry. a 111(48): 12127-12135
Lee, E.P.F.; Dyke, J.M.; Mok, D.K.W.; Chau, F.-t.; Chow, W.-k. 2007: Ab initio calculations on low-lying electronic states of SbO2- and Franck-Condon simulation of its photodetachment spectrum. Journal of Chemical Physics 127(9): 094306
Lee, E.P.F.; Dyke, J.M.; Mok, D.K.W.; Chow, W.-k.; Chau, F.-t. 2008: Ab initio calculations on low-lying electronic states of SnCl(2)- and Franck-Condon simulation of its photodetachment spectrum. Physical Chemistry Chemical Physics: Pccp 10(6): 834-843
Rodríguez-Ropero, F.; Casanovas, J.; Alemán, C. 2008: Ab initio calculations on pi-stacked thiophene dimer, trimer, and tetramer: structure, interaction energy, cooperative effects, and intermolecular electronic parameters. Journal of Computational Chemistry 29(1): 69-78
Mazzone, G.; Alberto, M.E.; Russo, N.; Sicilia, E. 2014: Ab initio calculations on the (1)O2 quenching mechanism by trans-resveratrol. Physical Chemistry Chemical Physics: Pccp 16(25): 12773-12781
Lee, E.P.F.; Mok, D.K.W.; Chau, F.-T.; Dyke, J.M. 2007: Ab initio calculations on the X (1)A(') and a (1)A(") states of HPO and Franck-Condon simulation of the single vibronic level emission spectra of HPO and DPO. Journal of Chemical Physics 127(21): 214305
Lee, E.P.F.; Mok, D.K.W.; Chau, F.-T.; Dyke, J.M. 2010: Ab initio calculations on the X (2)B1 and a (2)A1 states of AsH2, and Franck-Condon simulation, including anharmonicity, of the A(0,0,0)-X single vibronic level emission spectrum of AsH2. Journal of Chemical Physics 132(23): 234309
Arfa, M.; Olier, R.é; Privat, M. 2008: Ab initio calculations on the electronic structure of the divalent lead-water complex. Journal of Physical Chemistry. a 112(26): 6004-6008
Closser, K.D.; Head-Gordon, M. 2010: Ab initio calculations on the electronically excited states of small helium clusters. Journal of Physical Chemistry. a 114(31): 8023-8032
Paul, A.K.; Ray, S.; Mukhopadhyay, D.; Adhikari, S. 2011: Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: adiabatic to diabatic potential energy surfaces and nuclear dynamics. Journal of Chemical Physics 135(3): 034107
Carpenter, B.K.; Pittner, J.; Veis, L. 2009: Ab initio calculations on the formation and rearrangement of spiropentane. Journal of Physical Chemistry. a 113(39): 10557-10563
Zhang, W.; Zhu, W.; Liang, W.; Zhao, Y.; Nelsen, S.F. 2008: Ab initio calculations on the intramolecular electron transfer rates of a bis(hydrazine) radical cation. Journal of Physical Chemistry. B 112(35): 11079-11086
Van der Hart, W.J. 1996: Ab initio calculations on the isomerization of the 1,3-hexadien-5-yne radical cation to the benzene structure and to nonclassical ion structures. Journal of the American Society for Mass Spectrometry 7(8): 731-736
Richard, R.M.; Ball, D.W. 2008: Ab initio calculations on the thermodynamic properties of azaborospiropentanes. Journal of Molecular Modeling 14(9): 871-878
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Drougas, E.; Kosmas, A.M. 2007: Ab initio characterization of (CH3IO3) isomers and the CH3O2 + IO reaction pathways. Journal of Physical Chemistry. a 111(17): 3402-3408
Massó, H.; Senent, M.L. 2009: Ab initio characterization of C(6). Journal of Physical Chemistry. a 113(45): 12404-12410
Massó, H.; Veryazov, V.; Malmqvist, P.-A.; Roos, B.O.; Senent, M.L. 2007: Ab initio characterization of C5. Journal of Chemical Physics 127(15): 154318
Hudson, C.E.; McAdoo, D.J. 1996: Ab initio characterization of ring-opening H-transfer in ionized cyclopentanone: Similarity to ion-neutral complex-mediated alkane eliminations. Journal of the American Society for Mass Spectrometry 7(12): 1251-1254
Guo, X.-G.; Zhang, J.-L.; Zhao, Y. 2012: Ab initio characterization of size dependence of electronic spectra for linear anionic carbon clusters C(n) (-) (n = 4-17). Journal of Computational Chemistry 33(1): 93-102
Koput, J.; Makarewicz, J. 2010: Ab initio characterization of the Ca-HCl van der Waals complex. Journal of Chemical Physics 132(6): 064307
Koput, J.; Makarewicz, J. 2010: Ab initio characterization of the Mg-HF van der Waals complex. Journal of Chemical Physics 133(16): 164305
Delgado-Tellez, L.; Valdés, Ál.; Prosmiti, R.; Villarreal, P.; Delgado-Barrio, G. 2011: Ab initio characterization of the Ne-I2 van der Waals complex: intermolecular potentials and vibrational bound states. Journal of Chemical Physics 134(21): 214304
Vieuxmaire, O.P.J.; Lan, Z.; Sobolewski, A.L.; Domcke, W. 2008: Ab initio characterization of the conical intersections involved in the photochemistry of phenol. Journal of Chemical Physics 129(22): 224307
Wu, S.Y.; Raghunath, P.; Wu, J.S.; Lin, M.C. 2010: Ab initio chemical kinetic study for reactions of H atoms with SiH(4) and Si(2)H(6): comparison of theory and experiment. Journal of Physical Chemistry. a 114(1): 633-639
Xu, Z.F.; Lin, M.C. 2010: Ab initio chemical kinetic study on Cl + ClO and related reverse processes. Journal of Physical Chemistry. a 114(43): 11477-11482
Zhu, R.S.; Lin, M.C. 2010: Ab initio chemical kinetic study on the reactions of ClO with C2H2 and C2H4. Journal of Physical Chemistry. a 114(51): 13395-13401
Teng, W.-S.; Moskaleva, L.V.; Chen, H.-L.; Lin, M.C. 2013: Ab initio chemical kinetics for H + NCN: prediction of NCN heat of formation and reaction product branching via doublet and quartet surfaces. Journal of Physical Chemistry. a 117(28): 5775-5784
Raghunath, P.; Lin, M.C. 2013: Ab initio chemical kinetics for SiH2 + Si2H6 and SiH3 + Si2H5 reactions and the related unimolecular decomposition of Si3H8 under a-Si/H CVD conditions. Journal of Physical Chemistry. a 117(42): 10811-10823
Raghunath, P.; Lin, M.C. 2010: Ab initio chemical kinetics for SiH3 reactions with Si(x)H2x+2 (x = 1-4). Journal of Physical Chemistry. a 114(51): 13353-13361
Zhu, R.S.; Lin, M.C. 2011: Ab initio chemical kinetics for reactions of ClO with Cl2O2 isomers. Journal of Chemical Physics 134(5): 054307
Xu, S.; Lin, M.C. 2010: Ab initio chemical kinetics for singlet CH(2) reaction with N(2) and the related decomposition of diazomethane. Journal of Physical Chemistry. a 114(15): 5195-5204
Raghunath, P.; Lin, M.C. 2012: Ab initio chemical kinetics for the ClOO + NO reaction: effects of temperature and pressure on product branching formation. Journal of Chemical Physics 137(1): 014315
Xu, S.; Lin, M.C. 2007: Ab initio chemical kinetics for the OH+HNCN reaction. Journal of Physical Chemistry. a 111(29): 6730-6740
Zhu, R.S.; Lai, K.-Y.; Lin, M.C. 2012: Ab initio chemical kinetics for the hydrolysis of N2O4 isomers in the gas phase. Journal of Physical Chemistry. a 116(18): 4466-4472
Varma, D.H.; Raghunath, P.; Lin, M.C. 2010: Ab initio chemical kinetics for the reaction of an H atom with Si3H8. Journal of Physical Chemistry. a 114(10): 3642-3648
Metcalfe, W.K.; Simmie, J.M.; Curran, H.J. 2010: Ab initio chemical kinetics of methyl formate decomposition: the simplest model biodiesel. Journal of Physical Chemistry. a 114(17): 5478-5484
Kalita, A.C.; Gogoi, N.; Jangir, R.; Kuppuswamy, S.; Walawalkar, M.G.; Murugavel, R. 2014: Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions. Inorganic Chemistry 53(17): 8959-8969
Zhou, J.; Schlegel, H.B. 2009: Ab initio classical trajectory study of the dissociation of neutral and positively charged methanimine (CH2NHn+ n = 0-2). Journal of Physical Chemistry. a 113(37): 9958-9964
Psciuk, B.T.; Tao, P.; Schlegel, H.B. 2010: Ab initio classical trajectory study of the fragmentation of C3H4 dications on the singlet and triplet surfaces. Journal of Physical Chemistry. a 114(29): 7653-7660
Yurenko, Y.P.; Zhurakivsky, R.O.; Ghomi, M.; Samijlenko, S.P.; Hovorun, D.M. 2008: Ab initio comprehensive conformational analysis of 2'-deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix infrared spectrum. Journal of Physical Chemistry. B 112(4): 1240-1250
Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M. 2010: Ab initio computation of the 17F proton halo state and resonances in a = 17 nuclei. Physical Review Letters 104(18): 182501
Schön, J.C.; Pentin, I.V.; Jansen, M. 2007: Ab initio computation of the low-temperature phase diagrams of the alkali metal iodide-bromides: MBr(x)I1-x (0 </= x </= 1), Where M = Li, Na, K, Rb, or Cs. Journal of Physical Chemistry. B 111(15): 3943-3952
Rosso, L.; Gee, A.D.; Gould, I.R. 2008: Ab initio computational study of positron emission tomography ligands interacting with lipid molecule for the prediction of nonspecific binding. Journal of Computational Chemistry 29(14): 2397-2405
Alekseyev, A.B.; Liebermann, H.-P.; Buenker, R.J. 2011: Ab initio configuration interaction study of the B- and C-band photodissociation of methyl iodide. Journal of Chemical Physics 134(4): 044303
Yassour, M.; Kaplan, T.; Fraser, H.B.; Levin, J.Z.; Pfiffner, J.; Adiconis, X.; Schroth, G.; Luo, S.; Khrebtukova, I.; Gnirke, A.; Nusbaum, C.; Thompson, D.-A.; Friedman, N.; Regev, A. 2009: Ab initio construction of a eukaryotic transcriptome by massively parallel mRNA sequencing. Proceedings of the National Academy of Sciences of the United States of America 106(9): 3264-3269
Calzolari, A.; Ferretti, A.; Nardelli, M.B. 2007: Ab initio correlation effects on the electronic and transport properties of metal(II)-phthalocyanine-based devices. Nanotechnology 18(42): 424013
Feller, D.; Craig, N.C.; Groner, P.; McKean, D.C. 2011: Ab initio coupled cluster determination of the equilibrium structures of cis- and trans-1,2-difluoroethylene and 1,1-difluoroethylene. Journal of Physical Chemistry. a 115(1): 94-98
Feller, D.; Peterson, K.A.; Dixon, D.A. 2011: Ab initio coupled cluster determination of the heats of formation of C2H2F2, C2F2, and C2F4. Journal of Physical Chemistry. a 115(8): 1440-1451
Jansen, G.R.; Engel, J.; Hagen, G.; Navratil, P.; Signoracci, A. 2014: Ab initio coupled-cluster effective interactions for the shell model: application to neutron-rich oxygen and carbon isotopes. Physical Review Letters 113(14): 142502
Caputo, R.; Kupczak, A.; Sikora, W.; Tekin, A. 2013: Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. An insight into the structure of Mg(BH4)2. Physical Chemistry Chemical Physics: Pccp 15(5): 1471-1480
Liu, H.; Wang, Y.; Bowman, J.M. 2014: Ab initio deconstruction of the vibrational relaxation pathways of dilute HOD in ice Ih. Journal of the American Chemical Society 136(16): 5888-5891
Grabowski, I.; Lotrich, V.; Bartlett, R.J. 2007: Ab initio density functional theory applied to quasidegenerate problems. Journal of Chemical Physics 127(15): 154111
Moradian, R.; Behzad, S.; Chegel, R. 2008: Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes. Journal of Physics. Condensed Matter: An Institute of Physics Journal 20(46): 465214
Harris, T.V.; Kurashige, Y.; Yanai, T.; Morokuma, K. 2014: Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes. Journal of Chemical Physics 140(5): 054303
Hafner, J.ür. 2010: Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics. Journal of Physics. Condensed Matter: An Institute of Physics Journal 22(38): 384205
Tsuchiizu, M.; Omori, Y.; Suzumura, Y.; Bonnet, M.-L.; Robert, V. 2012: Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals. Journal of Chemical Physics 136(4): 044519
Pulikkotil, J.J.; Schwingenschlögl, U. 2010: Ab initio description of disordered Sr(1-x)KxFe2As2 using the coherent potential approximation. Physical Review Letters 104(17): 177006
Cudazzo, P.; Profeta, G.; Sanna, A.; Floris, A.; Continenza, A.; Massidda, S.; Gross, E.K.U. 2008: Ab initio description of high-temperature superconductivity in dense molecular hydrogen. Physical Review Letters 100(25): 257001
Wirth, R.; Gazda, D.; Navrátil, P.; Calci, A.; Langhammer, J.; Roth, R. 2014: Ab initio description of p-shell hypernuclei. Physical Review Letters 113(19): 192502
Cramariuc, O.; Hukka, T.I.; Rantala, T.T.; Lemmetyinen, H. 2009: Ab initio description of photoabsorption and electron transfer in a doubly-linked porphyrin-fullerene dyad. Journal of Computational Chemistry 30(8): 1194-1201
Baroni, S.; Navrátil, P.; Quaglioni, S. 2013: Ab initio description of the exotic unbound 7He nucleus. Physical Review Letters 110(2): 022505
Rimola, A.; Alí-Torres, J.; Rodríguez-Rodríguez, C.; Poater, J.; Matito, E.; Solà, M.; Sodupe, M. 2011: Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticity. Journal of Physical Chemistry. a 115(45): 12659-12666
Pan, H. 2014: Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire. Nanoscale Research Letters 9(1): 531
Herrmann, T.; Ren, Q.; Balint-Kurti, G.G.; Manby, F.R. 2007: Ab initio design of picosecond infrared laser pulses for controlling vibrational-rotational excitation of CO molecules. Journal of Chemical Physics 126(22): 224309
Mishra, B.; Wang, G. 2012: Ab initio design of potent anti-MRSA peptides based on database filtering technology. Journal of the American Chemical Society 134(30): 12426-12429
Pellegrini, M.; Renda, M.E.; Vecchio, A. 2012: Ab initio detection of fuzzy amino acid tandem repeats in protein sequences. Bmc Bioinformatics 13(Suppl 3): S8
Hsu, C.W.; Fyta, M.; Lakatos, G.; Melchionna, S.; Kaxiras, E. 2012: Ab initio determination of coarse-grained interactions in double-stranded DNA. Journal of Chemical Physics 137(10): 105102
Fang, W.-H. 2008: Ab initio determination of dark structures in radiationless transitions for aromatic carbonyl compounds. Accounts of Chemical Research 41(3): 452-457
Rani, P.; Yadav, R.A. 2012: Ab initio determination of geometries and vibrational characteristics of building blocks of organic super-conductors: TTF and its derivatives. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 99: 303-315
Jaiswal, S.; Singh, D.; Prasad, R.L.; Yadav, R.A. 2010: Ab initio determination of geometries and vibrational characteristics of building blocks of organic superconductors: 4,5-Ethylenedithio-1,3-dithiole-2-thione, and 4,5-ethylenedithio-1,3-dithiole-2-one. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 76(3-4): 297-310
Dürr, S.; Fodor, Z.; Frison, J.; Hoelbling, C.; Hoffmann, R.; Katz, S.D.; Krieg, S.; Kurth, T.; Lellouch, L.; Lippert, T.; Szabo, K.K.; Vulvert, G. 2008: Ab initio determination of light hadron masses. Science 322(5905): 1224-1227
Yadav, R.A.; Kumar, M.; Singh, R.; Singh, P.; Jaiswal, S.; Srivastav, G.; Prasad, R.L. 2008: Ab initio determination of molecular geometries and vibrational frequencies of CX3 COOH (X=H, F, Cl, Br). Spectrochimica Acta. Part A Molecular and Biomolecular Spectroscopy 71(4): 1565-1570
Xie, C.; Hu, X.; Zhou, L.; Xie, D.; Guo, H. 2013: Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2. Journal of Chemical Physics 139(1): 014305
Roca-Sanjuán, D.; Merchán, M.; Serrano-Andrés, L.; Rubio, M. 2008: Ab initio determination of the electron affinities of DNA and RNA nucleobases. Journal of Chemical Physics 129(9): 095104
Barbe, S.; Le Bret, M. 2008: Ab initio determination of the flexibility of 2'-aminoribonucleosides and 2'-aminoarabinonucleosides inserted in duplexes. Journal of Computational Chemistry 29(9): 1353-1363
Segarra-Martí, J.; Merchán, M.; Roca-Sanjuán, D. 2012: Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6). Journal of Chemical Physics 136(24): 244306
Recoules, V.; Lambert, F.; Decoster, A.; Canaud, B.; Clérouin, J. 2009: Ab initio determination of thermal conductivity of dense hydrogen plasmas. Physical Review Letters 102(7): 075002
Yu, F. 2012: Ab initio direct classical trajectory investigation on the SN2 reaction of F- with NH2F: nonstatistical central barrier recrossing dynamics. Journal of Computational Chemistry 33(4): 401-405
Agarwal, V.; Dauenhauer, P.J.; Huber, G.W.; Auerbach, S.M. 2012: Ab initio dynamics of cellulose pyrolysis: nascent decomposition pathways at 327 and 600 °C. Journal of the American Chemical Society 134(36): 14958-14972
Pu, M.; Privalov, T. 2013: Ab initio dynamics trajectory study of the heterolytic cleavage of H2 by a Lewis acid [B(C6F5)3] and a Lewis base [P(tBu)3. Journal of Chemical Physics 138(15): 154305
Ching, W.Y.; Rulis, P.; Misra, A. 2009: Ab initio elastic properties and tensile strength of crystalline hydroxyapatite. Acta Biomaterialia 5(8): 3067-3075
Lin, T.; Liu, X.-Y.; He, C. 2010: Ab initio elasticity of poly(lactic acid) crystals. Journal of Physical Chemistry. B 114(9): 3133-3139
Asada, T.; Nagaoka, M.; Koseki, S. 2011: Ab initio electron correlated studies on the intracluster reaction of NO+ (H2O)(n) → H3O+ (H2O)(n-2) (HONO) (n = 4 and 5). Physical Chemistry Chemical Physics: Pccp 13(4): 1590-1596
Kletsov, A.; Dahnovsky, Y. 2007: Ab initio electron propagator calculations in molecular transport junctions: predictions of negative differential resistance. Journal of Chemical Physics 127(14): 144716
Dahnovsky, Y. 2007: Ab initio electron propagators in molecules with strong electron-phonon interaction. I. Phonon averages. Journal of Chemical Physics 126(23): 234111
Dahnovsky, Y. 2007: Ab initio electron propagators in molecules with strong electron-phonon interaction: II. Electron Green's function. Journal of Chemical Physics 127(1): 014104
Ma, C.; Yang, Z.; Picozzi, S. 2006: Ab initio electronic and magnetic structure in La(0.66)Sr(0.33)MnO(3): strain and correlation effects. Journal of Physics. Condensed Matter: An Institute of Physics Journal 18(32): 7717-7728
Hossain, F.M.; Doherty, M.W.; Wilson, H.F.; Hollenberg, L.C.L. 2008: Ab initio electronic and optical properties of the N - v- center in diamond. Physical Review Letters 101(22): 226403
Palummo, M.; Hogan, C.; Sottile, F.; Bagalá, P.; Rubio, A. 2009: Ab initio electronic and optical spectra of free-base porphyrins: the role of electronic correlation. Journal of Chemical Physics 131(8): 084102
Noguez, C.; Hidalgo, F. 2014: Ab initio electronic circular dichroism of fullerenes, single-walled carbon nanotubes, and ligand-protected metal nanoparticles. Chirality 26(9): 553-562
Drumm, D.W.; Per, M.C.; Budi, A.; Hollenberg, L.C.; Russo, S.P. 2014: Ab initio electronic properties of dual phosphorus monolayers in silicon. Nanoscale Research Letters 9(1): 443
Svozil, D.; Frigato, T.; Havlas, Z.; Jungwirth, P. 2005: Ab initio electronic structure of thymine anions. Physical Chemistry Chemical Physics: Pccp 7(5): 840-845
Nabi, H.S.; Pentcheva, R.; Ranjan, R. 2010: Ab initio electronic structures of rhombohedral and cubic HgXO3 (X = Ti, Pb). Journal of Physics. Condensed Matter: An Institute of Physics Journal 22(4): 045504
Réal, F.; Vallet, Vérie.; Flament, J-Pierre.; Schamps, Jël. 2007: Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3. Journal of Chemical Physics 127(10): 104705
Shah, S.H.; Bristowe, P.D. 2011: Ab initio energetics of lanthanum substitution in ferroelectric bismuth titanate. Journal of Physics. Condensed Matter: An Institute of Physics Journal 23(15): 155902
DeBoer, G.D.; Dodd, J.A. 2007: Ab initio energies and product branching ratios for the O+C3H6 reaction. Journal of Physical Chemistry. a 111(50): 12977-12984
Netzloff, H.M.; Collins, M.A. 2007: Ab initio energies of nonconducting crystals by systematic fragmentation. Journal of Chemical Physics 127(13): 134113
Doll, K.; Jansen, M. 2011: Ab initio energy landscape of GeF2 : a system featuring lone pair structure candidates. Angewandte Chemie 50(20): 4627-4632
Doll, K.; Schön, J.C.; Jansen, M. 2010: Ab initio energy landscape of LiF clusters. Journal of Chemical Physics 133(2): 024107
Zerilli, F.J.; Kuklja, M.M. 2010: Ab initio equation of state of the organic molecular crystal: beta-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine. Journal of Physical Chemistry. a 114(16): 5372-5376
Lin, C.Y.; Coote, M.L.; Gennaro, A.; Matyjaszewski, K. 2008: Ab initio evaluation of the thermodynamic and electrochemical properties of alkyl halides and radicals and their mechanistic implications for atom transfer radical polymerization. Journal of the American Chemical Society 130(38): 12762-12774
Misawa, T.; Nakamura, K.; Imada, M. 2012: Ab initio evidence for strong correlation associated with Mott proximity in iron-based superconductors. Physical Review Letters 108(17): 177007
Tapavicza, E.; Tavernelli, I.; Rothlisberger, U. 2009: Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule. Journal of Physical Chemistry. a 113(35): 9595-9602
Huang, P.; Carter, E.A. 2008: Ab initio explanation of tunneling line shapes for the kondo impurity state. Nano Letters 8(4): 1265-1269
Karamanis, P.; Bégué, D.; Pouchan, C. 2007: Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9). Journal of Chemical Physics 127(9): 094706
Marini, A. 2008: Ab initio finite-temperature excitons. Physical Review Letters 101(10): 106405
Slavícek, P.; Martínez, T.J. 2010: Ab initio floating occupation molecular orbital-complete active space configuration interaction: an efficient approximation to CASSCF. Journal of Chemical Physics 132(23): 234102
Lei, H.; Duan, Y. 2007: Ab initio folding of albumin binding domain from all-atom molecular dynamics simulation. Journal of Physical Chemistry. B 111(19): 5458-5463
Lazim, R.; Wei, C.; Sun, T.; Zhang, D. 2013: Ab initio folding of extended α-helix: a theoretical study about the role of electrostatic polarization in the folding of helical structures. Proteins 81(9): 1610-1620
Ding, F.; Tsao, D.; Nie, H.; Dokholyan, N.V. 2008: Ab initio folding of proteins with all-atom discrete molecular dynamics. Structure 16(7): 1010-1018
Xu, W.; Mu, Y. 2008: Ab initio folding simulation of Trpcage by replica exchange with hybrid Hamiltonian. Biophysical Chemistry 137(2-3): 116-125
Sawada, T.; Hashimoto, T.; Tokiwa, H.; Suzuki, T.; Nakano, H.; Ishida, H.; Kiso, M.; Suzuki, Y. 2008: Ab initio fragment molecular orbital studies of influenza virus hemagglutinin-sialosaccharide complexes toward chemical clarification about the virus host range determination. Glycoconjugate Journal 25(9): 805-815
Ito, M.; Fukuzawa, K.; Mochizuki, Y.; Nakano, T.; Tanaka, S. 2007: Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator: roles of helix 12 in the coactivator binding mechanism. Journal of Physical Chemistry. B 111(13): 3525-3533
Ito, M.; Fukuzawa, K.; Mochizuki, Y.; Nakano, T.; Tanaka, S. 2008: Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator; part II: influence of mutations in transcriptional activation function 2 activating domain core on the molecular interactions. Journal of Physical Chemistry. a 112(10): 1986-1998
Ito, M.; Fukuzawa, K.; Ishikawa, T.; Mochizuki, Y.; Nakano, T.; Tanaka, S. 2008: Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information transmission. Journal of Physical Chemistry. B 112(38): 12081-12094
Zhu, W.; Lomsadze, A.; Borodovsky, M. 2010: Ab initio gene identification in metagenomic sequences. Nucleic Acids Research 38(12): E132
Castro-Palacios, J.C.; Rubayo-Soneira, J.ús.; Ishii, K.; Yamashita, K. 2007: Ab initio ground and excited state potential energy surfaces for NO-Kr complex and dynamics of Kr solids with NO impurity. Journal of Chemical Physics 126(13): 134315
Cybulski, H.; Fernández, B.; Henriksen, C.; Felker, P.M. 2012: Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum. Journal of Chemical Physics 137(7): 074305
Cybulski, H.; Fernández, B. 2012: Ab initio ground- and excited-state intermolecular potential energy surfaces for the NO-Ne and NO-Ar van der Waals complexes. Journal of Physical Chemistry. a 116(27): 7319-7328
Koput, J. 2013: Ab initio ground-state potential energy functions of beryllium monohydride ions: BeH+ and BeH-. Journal of Chemical Physics 139(10): 104309
Estrozi, L.F.; Navaza, J. 2010: Ab initio high-resolution single-particle 3D reconstructions: the symmetry adapted functions way. Journal of Structural Biology 172(3): 253-260
Titov, I.I.; Vorozheykin, P.S. 2013: Ab initio human miRNA and pre-miRNA prediction. Journal of Bioinformatics and Computational Biology 11(6): 1343009
Friedman, B.A.; Stadler, M.B.; Shomron, N.; Ding, Y.; Burge, C.B. 2008: Ab initio identification of functionally interacting pairs of cis-regulatory elements. Genome Research 18(10): 1643-1651
Kelly, S.; Wickstead, B.; Maini, P.K.; Gull, K. 2011: Ab initio identification of novel regulatory elements in the genome of Trypanosoma brucei by Bayesian inference on sequence segmentation. Plos one 6(10): E25666
Liu, Y.; Han, D.; Han, Y.; Yan, Z.; Xie, B.; Li, J.; Qiao, N.; Hu, H.; Khaitovich, P.; Gao, Y.; Han, J.-D.J. 2011: Ab initio identification of transcription start sites in the Rhesus macaque genome by histone modification and RNA-Seq. Nucleic Acids Research 39(4): 1408-1418
Guo, X.; Lan, Z.; Cao, Z. 2013: Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers. Physical Chemistry Chemical Physics: Pccp 15(26): 10777-10782
Chepulskii, R.V.; Curtarolo, S. 2011: Ab initio insights on the shapes of platinum nanocatalysts. Acs Nano 5(1): 247-254
Kopelke, S.; Gokhberg, K.; Averbukh, V.; Tarantelli, F.; Cederbaum, L.S. 2011: Ab initio interatomic decay widths of excited states by applying Stieltjes imaging to Lanczos pseudospectra. Journal of Chemical Physics 134(9): 094107
Hellmann, R.; Bich, E.; Vogel, E. 2008: Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane. Journal of Chemical Physics 128(21): 214303
Hellmann, R.; Bich, E.; Vogel, E.; Vesovic, V. 2011: Ab initio intermolecular potential energy surface and thermophysical properties of hydrogen sulfide. Physical Chemistry Chemical Physics: Pccp 13(30): 13749-13758
Makarewicz, J. 2008: Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes. Journal of Chemical Physics 129(18): 184310
Lauzin, C.ém.; Coudert, L.H.; Herman, M.; Liévin, J. 2013: Ab initio intermolecular potential of Ar-C2H2 refined using high-resolution spectroscopic data. Journal of Physical Chemistry. a 117(50): 13767-13774
Pal, G.; Lefkidis, G.; Hübner, W. 2009: Ab initio investigation of Pt dimers on Cu(001) surface. Journal of Physical Chemistry. a 113(44): 12071-12078
Miranda, C.R.; Ceder, G. 2007: Ab initio investigation of ammonia-borane complexes for hydrogen storage. Journal of Chemical Physics 126(18): 184703
Mahadevi, A.S.; Rahalkar, A.P.; Gadre, S.R.; Sastry, G.N. 2010: Ab initio investigation of benzene clusters: molecular tailoring approach. Journal of Chemical Physics 133(16): 164308
Morrow, C.P.; Nangia, S.; Garrison, B.J. 2009: Ab initio investigation of dissolution mechanisms in aluminosilicate minerals. Journal of Physical Chemistry. a 113(7): 1343-1352
Casassa, S.; Baima, J.; Mahmoud, A.; Kirtman, B. 2014: Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice. Journal of Chemical Physics 140(22): 224702
Khemiri, N.; Dardouri, R.; Oujia, B.; Gadéa, F.X. 2013: Ab initio investigation of electronic properties of the magnesium hydride molecular ion. Journal of Physical Chemistry. a 117(36): 8915-8924
Fawzy, W.M.; Heaven, M.C. 2007: Ab initio investigation of the NH(X)-N2 van der Waals complex. Journal of Chemical Physics 126(15): 154311
Brincat, N.A.; Parker, S.C.; Molinari, M.; Allen, G.C.; Storr, M.T. 2014: Ab initio investigation of the UO3 polymorphs: structural properties and thermodynamic stability. Inorganic Chemistry 53(23): 12253-12264
Oueslati, I.; Kerkeni, B.; Spielfiedel, A.; Tchang-Brillet, W-Ü.L.; Feautrier, N. 2014: Ab initio investigation of the abstraction reactions by H and D from tetramethylsilane and its deuterated substitutions. Journal of Physical Chemistry. a 118(5): 791-802
Lu, Y.-X.; Zou, J.-W.; Wang, Y.-H.; Jiang, Y.-J.; Yu, Q.-S. 2007: Ab initio investigation of the complexes between bromobenzene and several electron donors: some insights into the magnitude and nature of halogen bonding interactions. Journal of Physical Chemistry. a 111(42): 10781-10788
Yelgel, C.; Srivastava, G.P.; Miwa, R.H. 2012: Ab initio investigation of the electronic properties of graphene on InAs(111)A. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(48): 485004
Miliordos, E.; Mavridis, A. 2008: Ab initio investigation of the electronic structure and bonding of BH, BH(-), and HBBH molecules. Journal of Chemical Physics 128(14): 144308
Wei, Z.; Chen, D.; Zhao, H.; Li, Y.; Zhu, J.; Liu, B. 2014: Ab initio investigation of the first hydration shell of protonated glycine. Journal of Chemical Physics 140(8): 085103
O'Reilly, R.J.; Radom, L. 2009: Ab initio investigation of the fragmentation of 5,5-diamino-substituted 1,4,2-oxathiazoles. Organic Letters 11(6): 1325-1328
Michaux, C.; Wouters, J.; Perpète, E.A.; Jacquemin, D. 2009: Ab initio investigation of the hydration of deprotonated amino acids. Journal of the American Society for Mass Spectrometry 20(4): 632-638
Pye, C.C.; Walker, V.E.J. 2011: Ab initio investigation of the hydration of the tetrahedral perchlorate, perbromate, selenate, arsenate, and vanadate anions. Journal of Physical Chemistry. a 115(45): 13007-13015
Lv, Z.-L.; Xu, K.; Cheng, Y.; Chen, X.-R.; Cai, L.-C. 2014: Ab initio investigation of the lower energy candidate structures for (H₂O)₅⁺ water cluster. Journal of Chemical Physics 141(5): 054309
Etinski, M.; Marian, C.M. 2010: Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine. Physical Chemistry Chemical Physics: Pccp 12(19): 4915-4923
Zhao, H.; Chen, X.; Lu, J.; Shu, H.; Lu, W. 2014: Ab initio investigation of the structural and electronic properties of amorphous HgTe. Journal of Physics. Condensed Matter: An Institute of Physics Journal 26(4): 045503
Ali, M.A.; Dillstrom, V.T.; Lai, J.Y.W.; Violi, A. 2014: Ab initio investigation of the thermal decomposition of n-butylcyclohexane. Journal of Physical Chemistry. a 118(6): 1067-1076
Miliordos, E.; Harrison, J.F.; Hunt, K.L.C. 2011: Ab initio investigation of titanium hydroxide isomers and their cations, TiOH(0,+) and HTiO(0,+). Journal of Chemical Physics 135(14): 144111
Tong, J.; Li, Y.; Wu, D.; Li, Z.-R.; Huang, X.-R. 2011: Ab initio investigation on a new class of binuclear superalkali cations M2Li(2k+1)+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+). Journal of Physical Chemistry. a 115(10): 2041-2046
Zhang, H.; Wang, S.; Sun, C-Chung. 2011: Ab initio investigation on ion-associated species and association process in aqueous Na2SO4 and Na2SO4/MgSO4 solutions. Journal of Chemical Physics 135(8): 084309
Zhang, H.; Zhang, Y.-H. 2010: Ab initio investigation on the ion-associated species and process in Mg(NO3)2 solution. Journal of Computational Chemistry 31(15): 2772-2782
Guillaume, M.; Champagne, B.ît.; Markova, N.; Enchev, V.; Castet, F.éd.ér. 2007: Ab initio investigation on the second-order nonlinear optical responses in keto-enol equilibria of salicylideneanilines. Journal of Physical Chemistry. a 111(39): 9914-9923
Ndome, H.; Hochlaf, M. 2005: Ab initio investigations of the C3+ cation and of its role during the reactions of C3+ ions against atomic sulfur. Physical Chemistry Chemical Physics: Pccp 7(7): 1568-1576
Kosenkov, D.; Kholod, Y.; Gorb, L.; Shishkin, O.; Hovorun, D.M.; Mons, M.; Leszczynski, J. 2009: Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine. Journal of Physical Chemistry. B 113(17): 6140-6150
Xu, Z.F.; Xu, K.; Lin, M.C. 2009: Ab initio kinetics for decomposition/isomerization reactions of C2H5O radicals. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 10(6): 972-982
Zhang, P.; Klippenstein, S.J.; Law, C.K. 2013: Ab initio kinetics for the decomposition of hydroxybutyl and butoxy radicals of n-butanol. Journal of Physical Chemistry. a 117(9): 1890-1906
Sun, H.; Zhang, P.; Law, C.K. 2012: Ab initio kinetics for thermal decomposition of CH3N•NH2, cis-CH3NHN•H, trans-CH3NHN•H, and C•H2NNH2 radicals. Journal of Physical Chemistry. a 116(33): 8419-8430
Sharia, O.; Kuklja, M.M. 2010: Ab initio kinetics of gas phase decomposition reactions. Journal of Physical Chemistry. a 114(48): 12656-12661
Nesbitt, D.J.; Dong, F. 2008: Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach. Physical Chemistry Chemical Physics: Pccp 10(15): 2113-2122
Wdowik, U.D.; Legut, D. 2009: Ab initio lattice dynamics of MnO. Journal of Physics. Condensed Matter: An Institute of Physics Journal 21(27): 275402
Collins, M.A. 2011: Ab initio lattice dynamics of nonconducting crystals by systematic fragmentation. Journal of Chemical Physics 134(16): 164110
Gebhardt, T.; Music, D.; Hallstedt, B.; Ekholm, M.; Abrikosov, I.A.; Vitos, L.; Schneider, J.M. 2010: Ab initio lattice stability of fcc and hcp Fe-Mn random alloys. Journal of Physics. Condensed Matter: An Institute of Physics Journal 22(29): 295402
Dekura, H.; Tsuchiya, T.; Tsuchiya, J. 2013: Ab initio lattice thermal conductivity of MgSiO3 perovskite as found in Earth's lower mantle. Physical Review Letters 110(2): 025904
Vaval, N.; Cederbaum, L.S. 2007: Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators. Journal of Chemical Physics 126(16): 164110
Wang, H.; Kohyama, M.; Tanaka, S.; Shiihara, Y. 2013: Ab initio local energy and local stress: application to tilt and twist grain boundaries in Cu and Al. Journal of Physics. Condensed Matter: An Institute of Physics Journal 25(30): 305006
Buchachenko, A.A.; Stolyarov, A.V.; Szczȩśniak, M.M.; Chałasiński, G. 2012: Ab initio long-range interaction and adiabatic channel capture model for ultracold reactions between the KRb molecules. Journal of Chemical Physics 137(11): 114305
Bricogne, G. 1997: Ab initio macromolecular phasing: blueprint for an expert system based on structure factor statistics with built-in stereochemistry. Methods in Enzymology 277: 14-18
Quaglioni, S.; Navrátil, P. 2008: Ab initio many-body calculations of n-3H, n-4He, p-3,4He, and n-10Be scattering. Physical Review Letters 101(9): 092501
Navrátil, P.; Quaglioni, S. 2012: Ab initio many-body calculations of the (3)H(d,n)(4)He and (3)He(d,p)(4)He fusion reactions. Physical Review Letters 108(4): 042503
Yan, L.; Qu, Y.; Liu, C.; Wang, J.; Buenker, R.J. 2012: Ab initio many-electron study for the low-lying states of the alkali hydride cations in the adiabatic representation. Journal of Chemical Physics 136(12): 124304
Tsuchida, E. 2011: Ab initio mass tensor molecular dynamics. Journal of Chemical Physics 134(4): 044112
Prust, C.J.; Doerschuk, P.C.; Lander, G.C.; Johnson, J.E. 2009: Ab initio maximum likelihood reconstruction from cryo electron microscopy images of an infectious virion of the tailed bacteriophage P22 and maximum likelihood versions of Fourier Shell Correlation appropriate for measuring resolution of spherical or cylindrical objects. Journal of Structural Biology 167(3): 185-199
Cazorla, C.; Gillan, M.J.; Taioli, S.; Alfè, D. 2007: Ab initio melting curve of molybdenum by the phase coexistence method. Journal of Chemical Physics 126(19): 194502
Alnemrat, S.; Hooper, J.P. 2014: Ab initio metadynamics simulations of oxygen/ligand interactions in organoaluminum clusters. Journal of Chemical Physics 141(14): 144304
Vartak, S.; Golovnev, A.; Roudgar, A.; Eikerling, M. 2014: Ab initio metadynamics study on hydronium ion dynamics at acid-functionalized interfaces: effect of surface group density. Physical Chemistry Chemical Physics: Pccp 16(43): 24099-24107
Sjakste, J.; Vast, N.; Tyuterev, V. 2007: Ab initio method for calculating electron-phonon scattering times in semiconductors: application to GaAs and GaP. Physical Review Letters 99(23): 236405
Holmström, E.; Bock, N.; Peery, T.B.; Lizárraga, R.; De Lorenzi-Venneri, G.; Chisolm, E.D.; Wallace, D.C. 2009: Ab initio method for locating characteristic potential-energy minima of liquids. Physical Review. e Statistical Nonlinear and Soft Matter Physics 80(5 Part 1): 051111
Harding, L.B.; Klippenstein, S.J.; Jasper, A.W. 2007: Ab initio methods for reactive potential surfaces. Physical Chemistry Chemical Physics: Pccp 9(31): 4055-4070
Wan, X.; Ma, Y.; McClendon, C.L.; Huang, L.J.-s.; Huang, N. 2013: Ab initio modeling and experimental assessment of Janus Kinase 2 (JAK2) kinase-pseudokinase complex structure. Plos Computational Biology 9(4): E1003022
Cueno, M.E.; Nagano, K.; Imai, K.; Tamura, M.; Yoshimura, F.; Ochiai, K. 2015: Ab initio modeling approach towards establishing the structure and docking orientation of the Porphyromonas gingivalis FimA. Journal of Molecular Graphics and Modelling 55: 65-71
Rigden, D.J. 2011: Ab initio modeling led annotation suggests nucleic acid binding function for many DUFs. Omics: a Journal of Integrative Biology 15(7-8): 431-438
Szieberth, D.én.; Ferrari, A.M.; Noel, Y.; Ferrabone, M. 2010: Ab initio modeling of TiO2 nanotubes. Nanoscale 2(1): 81-89
Malysheva, L.; Onipko, A.; Liedberg, B. 2008: Ab initio modeling of amide-stabilized, oligo(ethylene glycol)-terminated self-assemblies: in-SAM molecular geometry, orientation, and hydrogen bonding. Journal of Physical Chemistry. a 112(8): 1683-1687
Houska, J.; Kos, S. 2011: Ab initio modeling of complex amorphous transition-metal-based ceramics. Journal of Physics. Condensed Matter: An Institute of Physics Journal 23(2): 025502
Malysheva, L.; Onipko, A.; Liedberg, B. 2008: Ab initio modeling of defect signatures in infrared reflection-absorption spectra of SAMs exposing methyl- and hydrogen-terminated oligo(ethylene glycols). Journal of Physical Chemistry. a 112(4): 728-736
Szaleniec, M.; Borowski, T.; Schühle, K.; Witko, M.; Heider, J. 2010: Ab initio modeling of ethylbenzene dehydrogenase reaction mechanism. Journal of the American Chemical Society 132(17): 6014-6024
Borges, I.; Aquino, A.él.J.A.; Köhn, A.; Nieman, R.; Hase, W.L.; Chen, L.X.; Lischka, H. 2013: Ab initio modeling of excitonic and charge-transfer states in organic semiconductors: the PTB1/PCBM low band gap system. Journal of the American Chemical Society 135(49): 18252-18255
Streitwieser, A.; Reyes, J.R.; Singhapricha, T.; Vu, S.; Shah, K. 2010: Ab initio modeling of organolithium equilibria. Journal of Organic Chemistry 75(11): 3821-3830
Rimola, A.; Corno, M.; Zicovich-Wilson, C.M.; Ugliengo, P. 2009: Ab initio modeling of protein/biomaterial interactions: competitive adsorption between glycine and water onto hydroxyapatite surfaces. Physical Chemistry Chemical Physics: Pccp 11(40): 9005-9007
Rimola, A.; Corno, M.; Zicovich-Wilson, C.M.; Ugliengo, P. 2008: Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces. Journal of the American Chemical Society 130(48): 16181-16183
Vilciauskas, L.; Paddison, S.J.; Kreuer, K.-D. 2009: Ab initio modeling of proton transfer in phosphoric acid clusters. Journal of Physical Chemistry. a 113(32): 9193-9201
Alexandrov, V.E.; Kotomin, E.A.; Maier, J.; Evarestov, R.A. 2008: Ab initio modeling of spin and charge ordering and lattice dynamics in CaFeO(3) crystals. Journal of Chemical Physics 129(21): 214704
Sebek, J.í; Bour, P. 2008: Ab initio modeling of the electronic circular dichroism induced in porphyrin chromophores. Journal of Physical Chemistry. a 112(13): 2920-2929
De Bock, M.F.M.; Conway, N.J.; Walsh, M.J.; Carolan, P.G.; Hawkes, N.C. 2008: Ab initio modeling of the motional Stark effect on MAST. Review of Scientific Instruments 79(10): 10f524
Szieberth, D.én.; Ferrari, A.M.; D'Arco, P.; Orlando, R. 2011: Ab initio modeling of trititanate nanotubes. Nanoscale 3(3): 1113-1119
Rimola, A.; Corno, M.; Garza, J.; Ugliengo, P. 2012: Ab initio modelling of protein-biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces. Philosophical Transactions. Series A Mathematical Physical and Engineering Sciences 370(1963): 1478-1498
Parsons, D.F.; Ninham, B.W. 2009: Ab initio molar volumes and Gaussian radii. Journal of Physical Chemistry. a 113(6): 1141-1150
Hirata, S.; Gilliard, K.; He, X.; Li, J.; Sode, O. 2014: Ab initio molecular crystal structures, spectra, and phase diagrams. Accounts of Chemical Research 47(9): 2721-2730
Krishnamurty, S.; Shafai, G.S.; Kanhere, D.G.; Soulé de Bas, B.; Ford, M.J. 2007: Ab initio molecular dynamical investigation of the finite temperature behavior of the tetrahedral Au19 and Au20 clusters. Journal of Physical Chemistry. a 111(42): 10769-10775
Laasonen, K. 2013: Ab initio molecular dynamics. Methods in Molecular Biology 924: 29-42
Hudock, H.R.; Levine, B.G.; Thompson, A.L.; Satzger, H.; Townsend, D.; Gador, N.; Ullrich, S.; Stolow, A.; Martínez, T.J. 2007: Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. Journal of Physical Chemistry. a 111(34): 8500-8508
Ootani, Y.; Taketsugu, T. 2012: Ab initio molecular dynamics approach to tunneling splitting in polyatomic molecules. Journal of Computational Chemistry 33(1): 60-65
Leung, K.; Rempe, S.B.; von Lilienfeld, O.A. 2009: Ab initio molecular dynamics calculations of ion hydration free energies. Journal of Chemical Physics 130(20): 204507
Kroes, G.-J.; Pavanello, M.; Blanco-Rey, M.ía.; Alducin, M.; Auerbach, D.J. 2014: Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111). Journal of Chemical Physics 141(5): 054705
Rodziewicz, P.; Doltsinis, N.L. 2007: Ab initio molecular dynamics free-energy study of microhydration effects on the neutral-zwitterion equilibrium of phenylalanine. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 8(13): 1959-1968
Kolev, S.; Petkov, P.S.; Rangelov, M.; Vayssilov, G.N. 2013: Ab initio molecular dynamics of Na⁺ and Mg²⁺ countercations at the backbone of RNA in water solution. Acs Chemical Biology 8(7): 1576-1589
Coe, J.D.; Levine, B.G.; Martínez, T.J. 2007: Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory. Journal of Physical Chemistry. a 111(44): 11302-11310
Ludwig, J.; Vlachos, D.G. 2007: Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling. Journal of Chemical Physics 127(15): 154716
Ilhan, M.A.; Spohr, E. 2011: Ab initio molecular dynamics of proton networks in narrow polymer electrolyte pores. Journal of Physics. Condensed Matter: An Institute of Physics Journal 23(23): 234104
Udagawa, T.; Sakai, S. 2011: Ab initio molecular dynamics of protonated water clusters by integrated multicenter molecular-orbital method. Journal of Computational Chemistry 32(13): 2902-2908
Bhargava, B.L.; Balasubramanian, S. 2008: Ab initio molecular dynamics simulation of a 1-ethyl-3-methylimidazolium fluoride-hydrogen fluoride mixture. Journal of Physical Chemistry. B 112(25): 7566-7573
Frigato, T.; VandeVondele, J.; Schmidt, B.; Schütte, C.; Jungwirth, P. 2008: Ab initio molecular dynamics simulation of a medium-sized water cluster anion: from an interior to a surface-located excess electron via a delocalized state. Journal of Physical Chemistry. a 112(27): 6125-6133
Xiao, H.Y.; Gao, F.; Zu, X.T.; Weber, W.J. 2009: Ab initio molecular dynamics simulation of a pressure induced zinc blende to rocksalt phase transition in SiC. Journal of Physics. Condensed Matter: An Institute of Physics Journal 21(24): 245801
Ghatee, M.H.; Ansari, Y. 2007: Ab initio molecular dynamics simulation of ionic liquids. Journal of Chemical Physics 126(15): 154502
Ootani, Y.; Satoh, K.; Nakayama, A.; Noro, T.; Taketsugu, T. 2009: Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n pi* state. Journal of Chemical Physics 131(19): 194306
Devanathan, R.; Idupulapati, N.; Baer, M.D.; Mundy, C.J.; Dupuis, M. 2013: Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane. Journal of Physical Chemistry. B 117(51): 16522-16529
Yamauchi, Y.; Ozawa, S.; Nakai, H. 2007: Ab initio molecular dynamics simulation of the energy-relaxation process of the protonated water dimer. Journal of Physical Chemistry. a 111(11): 2062-2066
Li, J-Ying.; Liu, L-Min.; Jin, B.; Liang, H.; Yu, H-Jun.; Zhang, H-Chang.; Chu, S-Jin.; Peng, R-Fang. 2013: Ab initio molecular dynamics simulation on the formation process of He@C₆₀ synthesized by explosion. Journal of Molecular Modeling 19(4): 1705-1710
Habenicht, B.F.; Paddison, S.J.; Tuckerman, M.E. 2010: Ab initio molecular dynamics simulations investigating proton transfer in perfluorosulfonic acid functionalized carbon nanotubes. Physical Chemistry Chemical Physics: Pccp 12(31): 8728-8732
Brüssel, M.; Brehm, M.; Voigt, T.; Kirchner, B. 2011: Ab initio molecular dynamics simulations of a binary system of ionic liquids. Physical Chemistry Chemical Physics: Pccp 13(30): 13617-13620
Clark, J.K.; Habenicht, B.F.; Paddison, S.J. 2014: Ab initio molecular dynamics simulations of aqueous triflic acid confined in carbon nanotubes. Physical Chemistry Chemical Physics: Pccp 16(31): 16465-16479
Mazevet, S.; Lambert, F.; Bottin, F.; Zérah, G.; Clérouin, J. 2007: Ab initio molecular dynamics simulations of dense boron plasmas up to the semiclassical Thomas-Fermi regime. Physical Review. E Statistical Nonlinear and Soft Matter Physics 75(5 Part 2): 056404
Liu, B.; Xiao, H.Y.; Zhang, Y.; Weber, W.J. 2013: Ab initio molecular dynamics simulations of overlapping recoil events in ThO₂. Journal of Physics. Condensed Matter: An Institute of Physics Journal 25(39): 395004
Chagarov, E.A.; Kummel, A.C. 2009: Ab initio molecular dynamics simulations of properties of a-Al2O3/vacuum and a-ZrO2/vacuum vs a-Al2O3Ge(100)(2 x 1) and a-ZrO2Ge(100)(2 x 1) interfaces. Journal of Chemical Physics 130(12): 124717
Christie, J.K.; Ainsworth, R.I.; de Leeuw, N.H. 2014: Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses. Biomaterials 35(24): 6164-6171
Gross, A. 2010: Ab initio molecular dynamics simulations of the adsorption of H2 on palladium surfaces. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 11(7): 1374-1381
Leung, K.; Budzien, J.L. 2010: Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodes. Physical Chemistry Chemical Physics: Pccp 12(25): 6583-6586
Hammerich, A.D.; Buch, V. 2012: Ab initio molecular dynamics simulations of the liquid/vapor interface of sulfuric acid solutions. Journal of Physical Chemistry. a 116(23): 5637-5652
Liu, B.; Xiao, H.Y.; Zhang, Y.; Aidhy, D.S.; Weber, W.J. 2013: Ab initio molecular dynamics simulations of threshold displacement energies in SrTiO3. Journal of Physics. Condensed Matter: An Institute of Physics Journal 25(48): 485003
Clark, J.K.; Paddison, S.J. 2014: Ab initio molecular dynamics simulations of water and an excess proton in water confined in carbon nanotubes. Physical Chemistry Chemical Physics: Pccp 16(33): 17756-17769
Ramírez-Solís, A.; Jolibois, F.; Maron, L. 2010: Ab initio molecular dynamics studies of tetrasulfur. Dynamics coupling the C2v open and D2h closed forms of S4. Journal of Physical Chemistry. a 114(47): 12378-12383
Lee, H.-S.; Tuckerman, M.E. 2009: Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution. Journal of Physical Chemistry. a 113(10): 2144-2151
Kudo, T.; Taketsugu, T.; Gordon, M.S. 2011: Ab initio molecular dynamics study of H2 formation inside POSS compounds. Journal of Physical Chemistry. a 115(13): 2679-2691
Leung, K.; Nielsen, I.M.B.; Kurtz, I. 2007: Ab initio molecular dynamics study of carbon dioxide and bicarbonate hydration and the nucleophilic attack of hydroxide on CO2. Journal of Physical Chemistry. B 111(17): 4453-4459
Saitta, A.M.; Saija, F.; Giaquinta, P.V. 2012: Ab initio molecular dynamics study of dissociation of water under an electric field. Physical Review Letters 108(20): 207801
Lee, Y.T.; Lin, J.S. 2013: Ab initio molecular dynamics study of ethylene adsorption onto Si(001) surface: short-time Fourier transform analysis of structural coordinate autocorrelation function. Journal of Computational Chemistry 34(31): 2697-2706
Gross, A. 2009: Ab initio molecular dynamics study of hot atom dynamics after dissociative adsorption of H2 on Pd(100). Physical Review Letters 103(24): 246101
Pu, M.; Privalov, T. 2014: Ab initio molecular dynamics study of hydrogen cleavage by a Lewis base [tBu3P] and a Lewis acid [B(C6F5)3] at the mesoscopic level--dynamics in the solute-solvent molecular clusters. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 15(17): 3714-3719
Donoso, R.; Cárdenas, C.; Fuentealba, P. 2014: Ab initio molecular dynamics study of small alkali metal clusters. Journal of Physical Chemistry. a 118(6): 1077-1083
Balasubramanian, S.; Kohlmeyer, A.; Klein, M.L. 2009: Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections. Journal of Chemical Physics 131(14): 144506
Ma, Z.; Anick, D.; Tuckerman, M.E. 2014: Ab initio molecular dynamics study of the aqueous HOO(-) ion. Journal of Physical Chemistry. B 118(28): 7937-7945
Li, J.; Hou, H.; Wang, B. 2009: Ab initio molecular dynamics study of the electronic structure of superoxide radical anion in solution. Journal of Physical Chemistry. a 113(5): 800-804
Mignon, P.; Ugliengo, P.; Sodupe, M.; Hernandez, E.R. 2010: Ab initio molecular dynamics study of the hydration of Li(+), Na(+) and K(+) in a montmorillonite model. Influence of isomorphic substitution. Physical Chemistry Chemical Physics: Pccp 12(3): 688-697
Di Pietro, E.; Cardini, G.; Schettino, V. 2007: Ab initio molecular dynamics study of the hydrolysis reaction of diborane. Physical Chemistry Chemical Physics: Pccp 9(29): 3857-3863
Cuny, J.ér.ôm.; Hassanali, A.A. 2014: Ab initio molecular dynamics study of the mechanism of proton recombination with a weak base. Journal of Physical Chemistry. B 118(48): 13903-13912
Zhou, J.; Schlegel, H.B. 2010: Ab initio molecular dynamics study of the reaction between Th(+) and H(2)O. Journal of Physical Chemistry. a 114(33): 8613-8617
Li, P.; Niu, W.; Tian, X.; Gao, T.; Wang, H. 2013: Ab initio molecular dynamics study of the reaction of U+ and U2+ with H2O in the gas phase: direct classical trajectory calculations. Journal of Physical Chemistry. a 117(18): 3761-3770
D'Auria, R.; Kuo, I.-F.W.; Tobias, D.J. 2008: Ab initio molecular dynamics study of the solvated OHCl- complex: implications for the atmospheric oxidation of chloride anion to molecular chlorine. Journal of Physical Chemistry. a 112(20): 4644-4650
Calderín, L.; González, L.E.; González, D.J. 2009: Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature. Journal of Chemical Physics 130(19): 194505
Ma, Z.; Zhang, Y.; Tuckerman, M.E. 2012: Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion corrections. Journal of Chemical Physics 137(4): 044506
Vallés-Pardo, J.é L.; Guijt, M.C.; Iannuzzi, M.; Joya, K.S.; de Groot, H.J.M.; Buda, F. 2012: Ab initio molecular dynamics study of water oxidation reaction pathways in mono-Ru catalysts. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 13(1): 140-146
Tachikawa, H.; Orr-Ewing, A.J. 2008: Ab initio molecular dynamics study on the electron capture processes of protonated methane (CH5+). Journal of Physical Chemistry. a 112(46): 11575-11581
Isayev, O.; Gorb, L.; Qasim, M.; Leszczynski, J. 2008: Ab initio molecular dynamics study on the initial chemical events in nitramines: thermal decomposition of CL-20. Journal of Physical Chemistry. B 112(35): 11005-11013
Guidon, M.; Schiffmann, F.; Hutter, J.ür.; VandeVondele, J. 2008: Ab initio molecular dynamics using hybrid density functionals. Journal of Chemical Physics 128(21): 214104
Steele, R.P.; Head-Gordon, M.; Tully, J.C. 2010: Ab initio molecular dynamics with dual basis set methods. Journal of Physical Chemistry. a 114(43): 11853-11860
Luo, Y.; Zen, A.; Sorella, S. 2014: Ab initio molecular dynamics with noisy forces: validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties. Journal of Chemical Physics 141(19): 194112
Kowal, A.T. 2011: Ab initio molecular geometry and anharmonic vibrational spectra of thiourea and thiourea-d4. Journal of Computational Chemistry 32(4): 718-729
Jayaprakash, S.; Jeevanandam, J.; Subramani, K. 2014: Ab initio molecular orbital and density functional studies on the ring-opening reaction of oxetene. Journal of Molecular Modeling 20(11): 2494
Nagase, K.; Kobayashi, H.; Yoshikawa, E.; Kurita, N. 2009: Ab initio molecular orbital calculations on specific interactions between urokinase-type plasminogen activator and its receptor. Journal of Molecular Graphics and Modelling 28(1): 46-53
Hirano, T.; Okuda, R.; Nagashima, U.; Jensen, P. 2007: Ab initio molecular orbital study of ground and low-lying electronic states of CoCN. Journal of Chemical Physics 127(1): 014303
Kudo, T. 2009: Ab initio molecular orbital study of the insertion of H2 into POSS compounds 2: the substituent effect and larger cages. Journal of Physical Chemistry. a 113(44): 12311-12321
Kudo, T.; Akasaka, M.; Gordon, M.S. 2008: Ab initio molecular orbital study on the Ge-, Sn-, Zr- and Si/Ge-mixed silsesquioxanes. Journal of Physical Chemistry. a 112(21): 4836-4843
Shirai, S.; Iwata, S.; Maegawa, Y.; Tani, T.; Inagaki, S. 2012: Ab initio molecular orbital study on the excited states of [2.2]-, [3.3]-, and siloxane-bridged paracyclophanes. Journal of Physical Chemistry. a 116(41): 10194-10202
Sahnoun, R.; Fujimura, Y.; Kabuto, K.; Takeuchi, Y.; Noyori, R. 2007: Ab initio molecular orbitals study of the conformational preference in alpha-cyano-alpha-fluorophenylacetic acid ester. Journal of Organic Chemistry 72(21): 7923-7929
Mizushima, T.; Sugimoto, T.; Kasumi, T.; Araki, K.; Kobayashi, H.; Kurita, N. 2014: Ab initio molecular simulations for proposing novel peptide inhibitors blocking the ligand-binding pocket of urokinase receptor. Journal of Molecular Modeling 20(6): 2292
Murakawa, T.; Matsushita, Y.; Suzuki, T.; Khan, M.T.H.; Kurita, N. 2014: Ab initio molecular simulations for proposing potent inhibitors to butyrylcholinesterases. Journal of Molecular Graphics and Modelling 54: 54-61
Zhu, X.F.; Chen, L.F. 2009: Ab initio molecular-dynamics simulation of liquid As(x)Te(1-x) alloys. Journal of Physics. Condensed Matter: An Institute of Physics Journal 21(27): 275602
Makhov, D.V.; Glover, W.J.; Martinez, T.J.; Shalashilin, D.V. 2014: Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics. Journal of Chemical Physics 141(5): 054110
Levine, B.G.; Martínez, T.J. 2009: Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer. Journal of Physical Chemistry. a 113(46): 12815-12824
Tao, H.; Levine, B.G.; Martínez, T.J. 2009: Ab initio multiple spawning dynamics using multi-state second-order perturbation theory. Journal of Physical Chemistry. a 113(49): 13656-13662
Chattopadhyay, S.; Chaudhuri, R.K.; Mahapatra, U.Sinha. 2011: Ab initio multireference investigation of disjoint diradicals: singlet versus triplet ground states. Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 12(15): 2791-2797
Szefczyk, B.; Andruniów, T.; Sokalski, W.Andrzej. 2008: Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylates. Journal of Molecular Modeling 14(8): 727-733
Tapavicza, E.; Bellchambers, G.D.; Vincent, J.C.; Furche, F. 2013: Ab initio non-adiabatic molecular dynamics. Physical Chemistry Chemical Physics: Pccp 15(42): 18336-18348
Sisto, A.; Glowacki, D.R.; Martinez, T.J. 2014: Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework. Accounts of Chemical Research 47(9): 2857-2866
Long, R.; Prezhdo, O.V. 2011: Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection from a PbSe quantum dot into the TiO2 surface. Journal of the American Chemical Society 133(47): 19240-19249
Fischer, S.A.; Duncan, W.R.; Prezhdo, O.V. 2009: Ab initio nonadiabatic molecular dynamics of wet-electrons on the TiO(2) surface. Journal of the American Chemical Society 131(42): 15483-15491
Aeberhard, P.C.; Williams, S.R.; Evans, D.J.; Refson, K.; David, W.I.F. 2012: Ab initio nonequilibrium molecular dynamics in the solid superionic conductor LiBH4. Physical Review Letters 108(9): 095901
Varsano, D.; Garbesi, A.; Di Felice, R. 2007: Ab initio optical absorption spectra of size-expanded xDNA base assemblies. Journal of Physical Chemistry. B 111(50): 14012-14021
Pinilla, C.; Irani, A.H.; Seriani, N.; Scandolo, S. 2012: Ab initio parameterization of an all-atom polarizable and dissociable force field for water. Journal of Chemical Physics 136(11): 114511
Kawashima, Y.; Suzuki, K.; Tachikawa, M. 2013: Ab initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bonds. Journal of Physical Chemistry. a 117(24): 5205-5210
Wong, K.-Y.; Xu, Y.; York, D.M. 2014: Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models. Journal of Computational Chemistry 35(17): 1302-1316
Ferrari, A.M.; Civalleri, B.; Dovesi, R. 2010: Ab initio periodic study of the conformational behavior of glycine helical homopeptides. Journal of Computational Chemistry 31(8): 1777-1784
Stöhr, M.; Podloucky, R.; Müller, S. 2009: Ab initio phase diagram of oxygen adsorption on W(110). Journal of Physics. Condensed Matter: An Institute of Physics Journal 21(13): 134017
Hehemann, J.-H.; Marsters, C.; Boraston, A.B. 2011: Ab initio phasing of a nucleoside hydrolase-related hypothetical protein from Saccharophagus degradans that is associated with carbohydrate metabolism. Proteins 79(10): 2992-2998
Dal Corso, A. 2013: Ab initio phonon dispersions of transition and noble metals: effects of the exchange and correlation functional. Journal of Physics. Condensed Matter: An Institute of Physics Journal 25(14): 145401
Tian, S.X.; Yang, J. 2007: Ab initio photoionization dynamics of beta-alanine. Journal of Chemical Physics 126(14): 141103
Wang, Y.; Bowman, J.M. 2011: Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters. Journal of Chemical Physics 134(15): 154510
Pradhan, E.; Carreón-Macedo, J.é-L.; Cuervo, J.E.; Schröder, M.; Brown, A. 2013: Ab initio potential energy and dipole moment surfaces for CS2: determination of molecular vibrational energies. Journal of Physical Chemistry. a 117(32): 6925-6931
Kamarchik, E.; Toffoli, D.; Christiansen, O.; Bowman, J.M. 2014: Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex. Spectrochimica Acta. Part a Molecular and Biomolecular Spectroscopy 119: 59-62
Bytautas, L.; Ruedenberg, K. 2009: Ab initio potential energy curve of F2. IV. Transition from the covalent to the van der Waals region: competition between multipolar and correlation forces. Journal of Chemical Physics 130(20): 204101
Srivastava, S.; Sathyamurthy, N. 2013: Ab initio potential energy curves for the ground and low lying excited states of NH(-) and the effect of (2)Σ(±) states on Λ-doubling of the ground state X(2)Π. Journal of Physical Chemistry. a 117(36): 8623-8631
Srivastava, S.; Sathyamurthy, N. 2014: Ab initio potential energy curves for the ground and low-lying excited states of OH and OH(-) and a study of rotational fine structure in photodetachment. Journal of Physical Chemistry. a 118(33): 6343-6350
Kalemos, A.; Prosmiti, R. 2014: Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICl. Journal of Chemical Physics 141(10): 104312
Feng, E.; Sun, C.; Yu, C.; Shao, X.; Huang, W. 2011: Ab initio potential energy surface and bound states for the Kr-OCS complex. Journal of Chemical Physics 135(12): 124301
Wang, Z.; Gong, M.; Zhang, Y.; Feng, E.; Cui, Z. 2008: Ab initio potential energy surface and bound states of the Xe-CO complex. Journal of Chemical Physics 128(4): 044309
Makarewicz, J. 2011: Ab initio potential energy surface and intermolecular vibrations of the naphthalene-argon van der Waals complex. Journal of Chemical Physics 134(6): 064322
Sun, X.; Hu, Y.; Zhu, H. 2013: Ab initio potential energy surface and predicted rotational spectra for the Ne-H2O complex. Journal of Chemical Physics 138(20): 204312
Zhou, Y.; Fu, B.; Wang, C.; Collins, M.A.; Zhang, D.H. 2011: Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction. Journal of Chemical Physics 134(6): 064323
Valdés, A.; Prosmiti, R.; Villarreal, P.; Delgado-Barrio, G.; Werner, H.-J. 2007: Ab initio potential energy surface and spectrum of the B(3Pi) state of the HeI2 complex. Journal of Chemical Physics 126(20): 204301
Koput, J. 2013: Ab initio potential energy surface and vibration-rotation energy levels of lithium monohydroxide. Journal of Chemical Physics 138(23): 234301
Pai, S.J.; Bae, Y.C. 2014: Ab initio potential energy surface for methane and carbon dioxide and application to vapor-liquid coexistence. Journal of Chemical Physics 141(6): 064303
Párraga, H.; Arranz, F.J.; Benito, R.M.; Borondo, F. 2013: Ab initio potential energy surface for the highly nonlinear dynamics of the KCN molecule. Journal of Chemical Physics 139(19): 194304
Warmbier, R.; Schneider, R. 2011: Ab initio potential energy surface of CH and reaction dynamics of H + CH+. Physical Chemistry Chemical Physics: Pccp 13(21): 10285-10294
Amaran, S.; Kumar, S. 2008: Ab initio potential energy surfaces and nonadiabatic collision dynamics in H(+)+O(2) system. Journal of Chemical Physics 128(15): 154325
Amaran, S.; Kumar, S.; Köppel, H. 2008: Ab initio potential energy surfaces and nonadiabatic interactions in the H+ +NO collision system. Journal of Chemical Physics 128(12): 124305
Janssen, L.M.C.; Groenenboom, G.C.; van der Avoird, A.; Zuchowski, P.S.; Podeszwa, R.ł 2009: Ab initio potential energy surfaces for NH((3)sigma(-))-NH((3)sigma(-)) with analytical long range. Journal of Chemical Physics 131(22): 224314
Lin, S.; Xie, D.; Guo, H. 2008: Ab initio potential energy surfaces for both the ground (X (1)A') and excited (A (1)A") electronic states of HGeCl and the absorption and emission spectra of HGeCl/DGeCl. Journal of Chemical Physics 129(15): 154313
Hirst, D.M. 2005: Ab initio potential energy surfaces for excited electronic states of the molecular ion HCN+. Physical Chemistry Chemical Physics: Pccp 7(6): 1136-1141
Lin, S.; Xie, D.; Guo, H. 2009: Ab initio potential energy surfaces for the ground (X1A') and excited (A1A'') electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr. Journal of Physical Chemistry. a 113(26): 7314-7321
Martí-Rujas, J.; Islam, N.; Hashizume, D.; Izumi, F.; Fujita, M.; Song, H.J.; Choi, H.C.; Kawano, M. 2011: Ab initio powder diffraction structure analysis of a host-guest network: short contacts between tetrathiafulvalene molecules in a pore. Angewandte Chemie 50(27): 6105-6108
Sillar, K.; Sauer, J. 2012: Ab initio prediction of adsorption isotherms for small molecules in metal-organic frameworks: the effect of lateral interactions for methane/CPO-27-Mg. Journal of the American Chemical Society 134(44): 18354-18365
Shang, B.; Yuan, L.-F.; Zeng, X.C.; Yang, J. 2010: Ab initio prediction of amorphous B84. Journal of Physical Chemistry. a 114(6): 2245-2249
Meinert, M.; Schmalhorst, J.-M.; Reiss, G. 2011: Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn₂TiZ Heusler compounds. Journal of Physics. Condensed Matter: An Institute of Physics Journal 23(3): 036001
Pentin, I.V.; Schön, J.C.; Jansen, M. 2010: Ab initio prediction of low-temperature phase diagrams in the Al-Ga-In-As system, MAs-M'As (M, M' = Al, Ga or In) and AlAs-GaAs-InAs, via the global study of energy landscapes. Physical Chemistry Chemical Physics: Pccp 12(30): 8491-8499
Rahman, G.; Kim, I.Gee.; Freeman, A.J. 2012: Ab initio prediction of pressure-induced structural phase transition of superconducting FeSe. Journal of Physics. Condensed Matter: An Institute of Physics Journal 24(9): 095502
Kokubo, H.; Tanaka, T.; Okamoto, Y. 2011: Ab initio prediction of protein-ligand binding structures by replica-exchange umbrella sampling simulations. Journal of Computational Chemistry 32(13): 2810-2821
Chen, S.; Vijayaraghavan, R.; MacFarlane, D.R.; Izgorodina, E.I. 2013: Ab initio prediction of proton NMR chemical shifts in imidazolium ionic liquids. Journal of Physical Chemistry. B 117(11): 3186-3197
De Angelis, F.; Santoro, F.; Nazeruddin, M.K.; Barone, V. 2008: Ab initio prediction of the emission color in phosphorescent iridium(III) complexes for OLEDs. Journal of Physical Chemistry. B 112(42): 13181-13183
Pentin, I.V.; Schön, J.C.; Jansen, M. 2007: Ab initio prediction of the low-temperature phase diagrams in the systems KBr-NaBr, KX-RbX, and LiX-RbX (X=Cl,Br). Journal of Chemical Physics 126(12): 124508
Koput, J. 2008: Ab initio prediction of the potential energy surface and vibration-rotation energy levels of CaCl2. Journal of Physical Chemistry. a 112(12): 2743-2746
Gertych, A.; Koput, J. 2008: Ab initio prediction of the structure and vibration-rotation spectroscopic properties of Li2OH and Li2OH+. Journal of Physical Chemistry. a 112(14): 3248-3252
Gertych, A.; Koput, J. 2010: Ab initio prediction of the structure and vibration-rotation spectroscopic properties of Na2OH and K2OH. Journal of Computational Chemistry 31(7): 1542-1549
Liu, L.A.; Bader, J.S. 2007: Ab initio prediction of transcription factor binding sites. Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing 2007: 484-495
Callis, P.R.; Petrenko, A.; Muiño, P.L.; Tusell, J.R. 2007: Ab initio prediction of tryptophan fluorescence quenching by protein electric field enabled electron transfer. Journal of Physical Chemistry. B 111(35): 10335-10339
Piechota, J.; Prywer, J.; Torzewska, A. 2012: Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research. Computer Methods in Biomechanics and Biomedical Engineering 15(12): 1329-1336
Kotochigova, S.; Petrov, A.; Linnik, M.; Kłos, J.; Julienne, P.S. 2011: Ab initio properties of Li-group-Ii molecules for ultracold matter studies. Journal of Chemical Physics 135(16): 164108
Augustovičová, L.; Soldán, P. 2012: Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs). Journal of Chemical Physics 136(8): 084311
Van der Linden, M.G.; Ferreira, D.C.és.; de Oliveira, L.C.; Onuchic, J.é N.; de Araújo, A.ôn.F.P. 2014: Ab initio protein folding simulations using atomic burials as informational intermediates between sequence and structure. Proteins 82(7): 1186-1199
Rigden, D.J.; Liu, H.; Hayes, S.D.; Urbé, S.; Clague, M.J. 2009: Ab initio protein modelling reveals novel human MIT domains. Febs Letters 583(5): 872-878