+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

Solvent effects on the conformational transition of a model polyalanine peptide

Solvent effects on the conformational transition of a model polyalanine peptide

Protein Science 13(11): 2909-2924

We have investigated the folding of polyalanine by combining discontinuous molecular dynamics simulation with our newly developed off-lattice intermediate-resolution protein model. The thermodynamics of a system containing a single Ac-KA14K-NH2 molecule has been explored by using the replica exchange simulation method to map out the conformational transitions as a function of temperature.

Please choose payment method:

(PDF emailed within 0-6 h: $19.90)

Accession: 012568928

Download citation: RISBibTeXText

PMID: 15498937

DOI: 10.1110/ps.04701304

Related references

Solvent-induced beta-hairpin to helix conformational transition in a designed peptide. Biopolymers 58(5): 465-476, 2001

Different binding of solvent to the peptide carbonyl group in different conformational environments induces the helix I is formed from helix II transition of poly L-proline. Hoppe-Seyler's Zeitschrift für Physiologische Chemie 350(9): 1153-1154, 1969

NMR based solvent exchange experiments to understand the conformational preference of intrinsically disordered proteins using FG-nucleoporin peptide as a model. Biopolymers 102(1): 69-77, 2016

Temperature-induced conformational transition of a model elastin-like peptide GVG(VPGVG)(3) in water. Biomacromolecules 8(7): 2196-2202, 2007

Discrepancies between conformational distributions of a polyalanine peptide in solution obtained from molecular dynamics force fields and amide I' band profiles. Journal of Physical Chemistry. B 114(51): 17201-8, 2011

Fibrillar morphology of derivatives of poly(3-alkylthiophene)s by solvent vapor annealing: effects of conformational transition and conjugate length. Journal of Physical Chemistry. B 117(19): 5996-6006, 2013

Solvent effects on the energy landscapes and folding kinetics of polyalanine. Proceedings of the National Academy of Sciences of the United States of America 98(5): 2188-2193, 2001

Polyelectrolyte conformational transition in aqueous solvent mixture influenced by hydrophobic interactions and hydrogen bonding effects: PAA-water-ethanol. Journal of Molecular Graphics & Modelling 64: 60-74, 2016

Solvation model dependency of helix-coil transition in polyalanine. Biophysical Journal 82(6): 3269-3276, 2002

Solvent effects on the conformational preferences of model peptoids. MP2 study. Journal of Peptide Science 20(3): 203-211, 2014

Sequence effects on the conformational properties of the amyloid b(1-28) peptide: testing a proposed mechanism for the a - > b transition. Biochemistry (American Chemical Society) 34: 40-7, 1995

Thermal denaturation of polyalanine peptide in water by molecular dynamics simulations and theoretical prediction of infrared spectra: helix-coil transition kinetics. Journal of Physical Chemistry. B 111(3): 605-617, 2007

ES/IS: Estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model. Biophysical Chemistry 78(1-2): 195-205, April 5, 1999

The peptide-binding specificity of HLA-B27 subtypes studied by the use of polyalanine model peptides. Human Immunology 39(2): 124, 1994