+ 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

Comparison between antigen-antibody binding energies and interfacial free energies

Comparison between antigen-antibody binding energies and interfacial free energies

Immunological Communications 6(4): 341-354

Antigen-antibody binding energies derived from equilibrium data are compared with the binding energies resulting from the interfacial free energies obtained from contact angle measurements of antigens and antibodies. From these interfacial free energies two sorts of theoretical antigen-antibody binding energies can be derived, as well as the Hamaker constants for most antigen-antibody systems. For interaction in vacuo the Hamaker constants obtained are between 4 and 6 X 10(-13) ergs, while these constants for hydrated antigen antibody interactions are less than 10(-14) ergs. For interactions in vacuo, interfacial free energies yield binding energies (delta Fa) that lie between -120 and -140 ergs/cm2. For interactions in the aqueous phase (with interstitial water still present), much lower binding energies (delta Fb) are derived, of the order of -.01 and -1 ergs/cm2. In comparison, dextran-anti-dextran interactions show a binding energy derived from equilibrium data (delta Feq) of the order of -10 ergs/cm2. In general the equilibrium binding energies delta Feq of most antigen-antibody systems would vary between -1 and -20 ergs/cm2. The implications of this comparison are discussed in the light of the influence of residual water between antigenic determinant and antibody-active site, as well as in the light of the degree of perfection of fit between these sites.

Please choose payment method:

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

Accession: 039625151

Download citation: RISBibTeXText

PMID: 885583

DOI: 10.3109/08820137709051972

Related references

Relative energies of binding for antibody-carbohydrate-antigen complexes computed from free-energy simulations. Journal of the American Chemical Society 122(2): 331-338, 2000

Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation. Journal of the American Chemical Society 115(21): 9620-9631, 1993

Correlation of LUMO energies and free energies of binding for a series of nifedipine analogues. Pharmazie 54(11): 804-807, 1999

Inner electron binding energies and Auger energies in free atoms for use in X-ray spectroscopy. Journal of Electron Spectroscopy and Related Phenomena 8(3): 249-254, 1976

Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies. Journal of Physical Chemistry. B 117(32): 9478-9485, 2013

Role of acidbase interactions on the adhesion of oral streptococci and actinomyces to hexadecane and chloroforminfluence of divalent cations and comparison between free energies of partitioning and free energies obtained by extended DLVO analysis. Colloids and Surfaces B: Biointerfaces 14(1-4): 169-177, 1999

The free energies for mutating S27 and W79 to alanine in streptavidin and its biotin complex: The relative size of polar and nonpolar free energies on biotin binding. Proteins 36(4): 471-473, 1999

Calculations of antibody-antigen interactions: microscopic and semi-microscopic evaluation of the free energies of binding of phosphorylcholine analogs to McPC603. Protein Engineering 5(3): 215-228, 1992

Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design 31(1): 107-118, 2017

Vertical ionization energies of free radicals and electron detachment energies of their anions: a comparison of direct and indirect methods versus experiment. Journal of Physical Chemistry. a 118(31): 6125-6131, 2014

Quantitative calculations of antibody--antigen binding: steroid--DB3 binding energies by the linear interaction energy method. Journal of Organic Chemistry 66(9): 3021-3026, 2001

Gas Phase Free Energies of Formation and Free Energies of Solution of C-Centered Free Radicals from Alcohols: A Quantum MechanicalMonte Carlo Study. The Journal of Physical Chemistry A 103(18): 3562-3568, 1999

Comparison of simple perturbation-theory estimates for the liquidsolid and the liquidvapor interfacial free energies of Lennard-Jones systems. Molecular Simulation 33(13): 1023-1028, 2007

Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies. Journal of Physical Chemistry. B 113(5): 1253-1272, 2009

Dispersion self-free energies and interaction free energies of finite-sized ions in salt solutions. Langmuir 20(18): 7569-7574, 2004