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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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Bibliografski detalji
Glavni autori: Rueda, Manuel, Bottegoni, Giovanni, Abagyan, Ruben
Format: Artigo
Jezik:Inglês
Izdano: 2009
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2891173/
https://ncbi.nlm.nih.gov/pubmed/19434904
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