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. 2020 Jul 8:1–15. doi: 10.1080/07391102.2020.1790038

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Figure 8. — Analysis of MD simulation trajectories for control and docked complexes in terms of root mean square deviations (RMSD), root mean square fluctuations (RMSF), and radius of gyration (Rg). (A) Backbone RMSDs of M^pro-X77 (control), M^pro-22 and M^pro-26 systems for 100 ns simulation time. (B) RMSF plot of Cα atoms from M^pro receptor structure in presence of X77 (control), 22 and 26 inhibitor molecules (C) Rg of M^pro receptor protein in presence of X77 (control), 22 and 26 inhibitor molecules for 100 ns showing similarity in compactness of SARS-CoV-2 M^pro protein.