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Consistent improvement of cross docking results using binding site ensembles generated with Elastic Network Normal Modes

The representation of protein flexibility is still a challenge for the state-of-the-art flexible ligand docking protocols. In this article we use a large and diverse benchmark to prove that is possible to improve consistently the cross docking performance against a single receptor conformation by us...

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Bibliografiska uppgifter
Huvudupphovsmän: Rueda, Manuel, Bottegoni, Giovanni, Abagyan, Ruben
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2009
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC2891173/
https://ncbi.nlm.nih.gov/pubmed/19434904
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