Fig. 4
Self-docking validation of four ligands including Theaflagallin, Epigallocatechin 3-O-cinnamate, Epicatechin gallate, and Plixorafenib. Co-crystallized ligand conformations are displayed in green, and the corresponding re-docked compounds are shown in gray color. Each row represents a pose category based on RMSD: Good Pose (< 2.0 Å), Acceptable Pose (2.0–3.0 Å), and Bad Pose (> 3.0 Å). RMSD values are labeled above each pair. The 3D figures were generated by using PyMOL molecular graphics systems, version 1.7.4.5 Edu (https://pymol.org/2/).
