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Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding

The Helmholtz free energy, F and the entropy, S are related thermodynamic quantities with a special importance in structural biology. We describe the difficulties in calculating these quantities and review recent methodological developments. Because protein flexibility is essential for function and...

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Detalhes bibliográficos
Main Authors: Meirovitch, Hagai, Cheluvaraja, Srinath, White, Ronald P.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2716075/
https://ncbi.nlm.nih.gov/pubmed/19519453
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