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AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading

AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed-up compared to the molecular docking software previously developed in our lab (AutoDock 4), while also significantly improving the accuracy of...

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Autori principali: Trott, Oleg, Olson, Arthur J.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2010
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3041641/
https://ncbi.nlm.nih.gov/pubmed/19499576
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21334
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