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Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening

The role of virtual ligand screening in modern drug discovery is to mine large chemical collections and to prioritize for experimental testing a comparatively small and diverse set of compounds with expected activity against a target. Several studies have pointed out that the performance of virtual...

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Detalhes bibliográficos
Main Authors: Bottegoni, Giovanni, Rocchia, Walter, Rueda, Manuel, Abagyan, Ruben, Cavalli, Andrea
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3098722/
https://ncbi.nlm.nih.gov/pubmed/21625529
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0018845
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