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Changes of binding free energy components caused by alanine scanning. Binding of inhibitors to wild-type protein and mutated protein are represented by black and red, respectively. (A) pDI6W-MDM2 complex; (B) pDI6W-MDMX complex; (C) WK23-MDM2 complex; and (D) WK23-MDMX complex. Components are as follows: 1 van der Waals energy (ΔEvdw), 2 non-polar solvation energy (ΔGnopol), 3 polar interaction energy (ΔGpol + ele), 4 binding free energy (ΔGgb).
