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RMSD plot obtained through GROMACS trajectory analysis. (a) RMSD plot of protein backbone for complexes such as NS3 helicase (PDB: 5JRZ)-ellagic acid (blue), NS3 helicase (PDB: 5JRZ)-hypericin (red), NS3 helicase (PDB: 5JRZ)-pentagalloylglucose (black), and unbound NS3 helicase (PDB: 5JRZ) (green). (b) RMSD plot for ligand atoms ellagic acid (indigo), hypericin (cyan), and pentagalloylglucose (orange).
