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(A) Root-mean-square deviation (RMSD), (B) root-mean-square fluctuation (RMSF), (C) radius of gyration (Rg), (D) solvent accessible surface area (SASA), (E) intermolecular hydrogen bonds number, (F) short-range Lennard-Jones protein-ligand interaction energy analysis of the apo form (6LU7-Apo) and chelidimerine (6LU7-Che) holo form of SARS-CoV-2 Mpro throughout 50 ns.
