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Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries

Virtual screening consists of docking libraries of small molecules to a target protein followed by rank-ordering of the resulting structures using scoring functions. The ability of scoring methods to distinguish between actives and inactives depends on several factors that include the accuracy of th...

詳細記述

保存先:
書誌詳細
出版年:J Chem Inf Model
主要な著者: Xu, David, Meroueh, Samy O.
フォーマット: Artigo
言語:Inglês
出版事項: 2016
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC5483183/
https://ncbi.nlm.nih.gov/pubmed/27154487
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.5b00709
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