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Molecular dynamics studies of Mpro–drug complexes: Molecular dynamics simulations for Mpro–lumefantrine (A), Mpro–riboflavin (B), and Mpro–dipradomole (C) complex. Low root mean square fluctuations of Cα protein atoms in upper panel suggest protein was stable during the simulation run. The stable RMSD of Cα protein atoms (Blue) and Ligand RMSD (Red) in lower panel suggests formation of stable protein–ligand complex.
