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The statistical-thermodynamic basis for computation of binding affinities: a critical review.

Although the statistical thermodynamics of noncovalent binding has been considered in a number of theoretical papers, few methods of computing binding affinities are derived explicitly from this underlying theory. This has contributed to uncertainty and controversy in certain areas. This article the...

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Detalhes bibliográficos
Main Authors: Gilson, M K, Given, J A, Bush, B L, McCammon, J A
Formato: Artigo
Idioma:Inglês
Publicado em: 1997
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1184492/
https://ncbi.nlm.nih.gov/pubmed/9138555
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