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Docking Screens for Novel Ligands Conferring New Biology

It is now plausible to dock libraries of 10 million molecules against targets over several days or weeks. When the molecules screened are commercially available, they may be rapidly tested to find new leads. Although docking retains important liabilities (it cannot calculate affinities accurately no...

詳細記述

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書誌詳細
出版年:J Med Chem
主要な著者: Irwin, John J., Shoichet, Brian K.
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/PMC4865415/
https://ncbi.nlm.nih.gov/pubmed/26913380
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.5b02008
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