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Elucidating the Energetics of Entropically Driven Protein–Ligand Association: Calculations of Absolute Binding Free Energy and Entropy

[Image: see text] The binding of proteins and ligands is generally associated with the loss of translational, rotational, and conformational entropy. In many cases, however, the net entropy change due to binding is positive. To develop a deeper understanding of the energetics of entropically driven...

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Detalhes bibliográficos
Main Authors: Deng, Nan-jie, Zhang, Peng, Cieplak, Piotr, Lai, Luhua
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4127432/
https://ncbi.nlm.nih.gov/pubmed/21899337
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp204047b
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