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Epoxide hydrolases are essential enzymes that convert epoxides into 1,2-diols, contributing to detoxification, metabolism, and signaling in a wide range of organisms. In this study, we employed hybrid quantum mechanics/molecular mechanics (QM/MM) calculations to investigate the catalytic mechanism of potato epoxide hydrolase 1 (StEH1), specifically focusing on the hydrolysis of trans-stilbene oxid
