Non-Quinone Sulfone Analog as a Cdc25 Inhibitor: Biological Evaluation and Structural Determinants of Cdc25A and Cdc25B Selectivity

Abstract

was introduced in theoriginal binding energy function. This modification of thesolvation free energy term is expected to increase theaccuracy in docking simulation, because the underestimationof ligand solvation often leads to the overestimation of thebinding affinity of a ligand with many polar atoms.