Compromise in Docking Power of Liganded Crystal Structures of M(pro) SARS-CoV-2 Surpasses 90% Success Rate
Description
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 of the