DOI: 10.1002/pro.5560010117. Calculation of the free energy of association for protein complexes

Calculation of the free energy of association for protein complexes

10.1002/pro.5560010117

Crossref journal-article

Wiley

Protein Science (311)

Abstract

AbstractWe have developed a method for calculating the association energy of quaternary complexes starting from their atomic coordinates. The association energy is described as the sum of two solvation terms and an energy term to account for the loss of translational and rotational entropy. The calculated solvation energy, using atomic solvation parameters and the solvent accessible surface areas, has a correlation of 96% with experimentally determined values. We have applied this methodology to examine intermediates in viral assembly and to assess the contribution isomerization makes to the association energy of molecular complexes. In addition, we have shown that the calculated association can be used as a predictive tool for analyzing modeled molecular complexes.

Bibliography

Horton, N., & Lewis, M. (1992). Calculation of the free energy of association for protein complexes. Protein Science, 1(1), 169â181. Portico.

Authors 2

Nancy Horton (first)
Mitchell Lewis (additional)

References 50 Referenced 289

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Dates

Type	When
Created	15 years, 1 month ago (July 12, 2010, 12:56 a.m.)
Deposited	1 year, 9 months ago (Oct. 24, 2023, 1:08 p.m.)
Indexed	3 weeks, 1 day ago (Aug. 2, 2025, 1:10 a.m.)
Issued	33 years, 7 months ago (Jan. 1, 1992)
Published	33 years, 7 months ago (Jan. 1, 1992)
Published Online	16 years, 7 months ago (Dec. 31, 2008)
Published Print	33 years, 7 months ago (Jan. 1, 1992)

Funders 1

NIH
Awards2
1. GM-44617
2. GM-39526

BibTeX

@article{Horton_1992, title={Calculation of the free energy of association for protein complexes}, volume={1}, ISSN={1469-896X}, url={http://dx.doi.org/10.1002/pro.5560010117}, DOI={10.1002/pro.5560010117}, number={1}, journal={Protein Science}, publisher={Wiley}, author={Horton, Nancy and Lewis, Mitchell}, year={1992}, month=jan, pages={169–181} }

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