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Molecular dynamics simulations results; (A) RMSD values of Jusanin, Mpro, and Jusanin-Mpro complex during MD runs. (B) RMSF for Mpro in the MD run. (C) Radius of gyration of Mpro in the MD run. (D) SASA of Mpro in the MD run. (E) H-bonding between Jusanin-Mpro complex in the MD run.
