2016•Nature ProtocolsOpen access

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

Stefano Forli, Ruth Huey, Michael E. Pique, Michel F. Sanner, David S. Goodsell, Arthur J. Olson

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Key concepts: AutoDock, Docking (animal), Virtual screening, Protein–ligand docking, Drug discovery, Computer science, Searching the conformational space for docking, Drug design

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