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Computational evaluation of protein – small molecule binding

Determining protein – small molecule binding affinity is a key component of present-day rational drug discovery. To circumvent the time, labor, and materials costs associated with experimental protein – small molecule binding assays, a variety of structure-based computational methods have been devel...

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Detalhes bibliográficos
Main Authors: Guvench, Olgun, MacKerell, Alexander D.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2671234/
https://ncbi.nlm.nih.gov/pubmed/19162472
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2008.11.009
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