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

O, Trott; AJ, Olson

doi:10.1002/jcc.21334

Public

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

Published in Journal of computational chemistry • Jan 1, 2010

Authors:

Trott O

Olson AJ

Abstract

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 with the molecular docking software previously developed in our lab (AutoDock 4), while also significantly improving the accuracy ...

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