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Rapid flexible docking using a stochastic rotamer library of ligands

Existing flexible docking approaches model the ligand and receptor flexibility either separately or in a loosely-coupled manner, which captures the conformational changes inefficiently. Here, we propose a flexible docking approach, MedusaDock, which models both ligand and receptor flexibility simult...

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Bibliografische gegevens
Hoofdauteurs: Ding, Feng, Yin, Shuangye, Dokholyan, Nikolay V.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2010
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2947618/
https://ncbi.nlm.nih.gov/pubmed/20712341
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100218t
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