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Comparative plots of RMSD values against simulation time corresponding to the molecular dynamics of the backbone, 5H9 ligand reference, and molecules designed in silico-thermolysin complexes. (A) is the comparison between backbone, 5H9, Lig783, Lig1022, Lig1392; (B) is the comparison between backbone, 5H9, Lig2177, Lig3444, Lig6199.
