Compromise in Docking Power of Liganded Crystal Structures of Mpro SARS-CoV-2 Surpasses 90% Success Rate
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DOI: 10.1021/acs.jcim.3c01552
Abstract: Herein, we present the capacity of three different molecular docking programs (AutoDock, AutoDock Vina, and PLANTS) to identify and reproduce the binding modes of ligands present in 247 covalent and 169 noncovalent complex crystal structures… read more here.
Keywords: covalent; compromise docking; success rate; power ... See more keywords