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Decoys for Docking

Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting nonbinding molecules over true...

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Detalhes bibliográficos
Main Authors: Graves, Alan P., Brenk, Ruth, Shoichet, Brian K.
Formato: Artigo
Idioma:Inglês
Publicado em: 2005
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1557646/
https://ncbi.nlm.nih.gov/pubmed/15916423
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm0491187
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