FIG 6.

RMSDs of the protein-ligand complex and protein-ligand interaction throughout the simulation period are shown for ASN13153256 (A and B), ASN16457210 (C and D), and AOP22837786 (E and F). The RMSDs of backbone, side chain, heavy atoms, and the “Lig fit Lig” parameter are represented in the different colors defined in the keys below the graphs. The protein-ligand interactions (hydrogen bonds, hydrophobic, ionic, and water bridges) are represented by the different colors shown in the keys below the graphs.