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Recipes for the Selection of Experimental Protein Conformations for Virtual Screening

The use of multiple X-ray protein structures has been reported to be an efficient alternative for the representation of the binding pocket flexibility needed for accurate small molecules docking. However, the docking performance of the individual single conformations varies widely and adding certain...

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Detalhes bibliográficos
Main Authors: Rueda, Manuel, Bottegoni, Giovanni, Abagyan, Ruben
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2811216/
https://ncbi.nlm.nih.gov/pubmed/20000587
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci9003943
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