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Yu-Wei Chen

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Aug 2026

Mechanism and Origin of Stereoselectivity of Halohydrin Dehalogenase-Catalyzed Ring-Expansion Reaction of Spiro-Epoxides.

The detailed mechanism of halohydrin dehalogenase (HHDH)-catalyzed ring-expansion reaction between spiro-epoxides and the nucleophile OCN- to form spiro-oxazolidinones was investigated using molecular docking, molecular dynamics (MD) simulations, and quantum mechanics/molecular mechanics (QM/MM) calculations. Molecular...

Yu-Wei Chen, Shi-Hao Sun, Dong-Hui Wei · 0 citations

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