Fig. 7
Time-dependent binding stability of protein–ligand complexes including (A) epicatechin gallate, (B) plixorafenib (control), (C) epigallocatechin 3-0- cinnamate, and (D) theaflagallin complexes during 200 ns MDS. Snapshots at 50, 100, 150, and 200 ns are shown from left to right figures were generated by Maestro 2025.1 in Schrodinger (https://www.schrodinger.com/products/maestro). Ligands are highlighted with yellow circles, demonstrating their persistent localization within the active site throughout the simulation, thereby confirming stable binding at 200 ns.
