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RMSD chart showed ligand–protein with a black curve, ligand–backbone with a red curve, and Na–protein with a green curve, respectively (A). The hydrogen bonds chart displayed protein with ligands, Na, and ions at the same level in green (B). The previous GROMACS analysis was performed on GROMACS version 2022.4 for 4KIK protein with dehydrocostus lactone and was visualized with Grace version 5.1.25.
