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Docking calculations depicting the PDB code, binding site volume (Å) and binding energy (calculated by the Moldock Score Grid algorithm, Kcal/mol) obtained from MVD for 74 ligand-Mpro complexes. The 10 complexes that showed the best interaction energy (more negative) are highlighted in bold. The complexes highlighted in the gap with the asterisk (*) bore their ligands out of the interaction site of the protease, with interaction below -60 Kcal/mol.
