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The role of the active site solvent in the thermodynamics of factor Xa-ligand binding

Understanding the underlying physics of the binding of small molecule ligands to protein active sites is a key objective of computational chemistry and biology. It is widely believed that displacement of water molecules from the active site by the ligand is a principal (if not the dominant) source o...

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Autors principals: Abel, Robert, Young, Tom, Farid, Ramy, Berne, Bruce J., Friesner, Richard A.
Format: Artigo
Idioma:Inglês
Publicat: 2008
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2761766/
https://ncbi.nlm.nih.gov/pubmed/18266362
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja0771033
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