Data from: Compromise docking power evaluation of liganded crystal structures of Mpro SARS-CoV-2

A set of 406 liganded SARS-CoV-2 Mpro crystal structures originally
downloaded from RCSB PBD database is provided. Ligand and protein files
are processed and corrected for various types of structural errors and are
provided in pdbqt and mol2 formats for immediate use in molecular docking
programs AutoDock, AutoDock Vina, and PLANTS. Data are utilized in
calculations of newly defined compromise docking power to monitor the
performance of above-mentioned software. The provided dataset can also be
used for benchmarking of other software and molecular docking protocols on
liganded SARS-CoV-2 Mpro systems.