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LIBSA – A Method for the Determination of Ligand-Binding Preference to Allosteric Sites on Receptor Ensembles

[Image: see text] Incorporation of receptor flexibility into computational drug discovery through the relaxed complex scheme is well suited for screening against a single binding site. In the absence of a known pocket or if there are multiple potential binding sites, it may be necessary to do dockin...

詳細記述

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書誌詳細
主要な著者: Hocker, Harrison J., Rambahal, Nandini, Gorfe, Alemayehu A.
フォーマット: Artigo
言語:Inglês
出版事項: American Chemical Society 2014
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC3985772/
https://ncbi.nlm.nih.gov/pubmed/24437606
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400474u
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