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The ligand-thermolysin complexes’ backbone atoms’ root mean square fluctuation of molecular dynamics simulations (50 ns) at 298.15 K. (A) is the comparison between the Thermolysin backbone and the ligands Lig5H9, our reference compound, Lig783, Lig1022 and Lig1392. (B) is the comparison between the Thermolysin backbone and the ligands Lig5H9, our reference compound, Lig2177, Lig3444 and Lig6199.
