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Title Description Download link
Proteins (.pdbqt) All protein structure files, including ACE2, spike protein, 3C-like protease (3CLpro), RNA-dependent RNA polymerase (RdRp), Papain-like protease (PLpro), nucleocapsid (N) protein, human angiotensin-converting enzyme 2 (ACE2) and transmembrane serine protease family member II (TMPRSS2). protein.tar.gz
Ligands (.pdbqt) All ligand structure files and position information with best docking pose (best docking score). best_pose.tar.gz
Ligands with all poses (.pdbqt) All ligand structure files and position information with all docking poses. all_poses.tar.gz