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The structural comparison between apo-MDM2 crystal structure (PDB ID:1Z1M, golden color), holo-MDM2 used as start structure for free energy simulation (light blue color), and final structure obtained after simulation (hot pink color). (a) The protein-ligand complex (compound 13); (b) the protein-ligand complex (compound 14); (c) the protein-ligand complex (compound10). The interacting residues are highlighted and labelled in black color.
