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

Trott, Oleg; J. Olson, Arthur

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 • Jun 4, 2009

Authors:

Oleg Trott

Arthur J. Olson

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 ...

Subject

AutoDock

Multithreading

Computer science

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