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RMSD analysis of MD simulation trajectory. The RMSD plot obtained for (a) chaetovirdin D-SARS-CoV-2 main protease complex (PDB ID 6W81), (b) chaetovirdin D-SARS-CoV-2 main protease complex (PDB ID 7K0F), and (c) chaetovirdin D-SARS-CoV-2 main protease complex (PDB ID 6M2N). The simulated time of 100 ns shows the formation of a stable complex without any significant conformational changes in protein structure.
