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

Shared by NobleBlocks on Jun 4, 2009 • 12:00 AM UTC

Authors:

Oleg Trott

Arthur J. Olson

Abstract

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 ...

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