Ya-Jun Zheng

Conformation of coenzyme pyrroloquinoline quinone and role of Ca2+ in the catalytic mechanism of quinoprotein methanol dehydrogenase

Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation.

Non-enzymatic and enzymatic hydrolysis of alkyl halides: a haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 displacement reaction.

Theoretical Investigation of the Hydride Transfer from Formate to NAD+ and the Implications for the Catalytic Mechanism of Formate Dehydrogenase

Nonenzymatic and enzymatic hydrolysis of alkyl halides: A theoretical study of the SN2 reactions of acetate and hydroxide ions with alkyl chlorides

Role of a critical water in scytalone dehydratase-catalyzed reaction

Protein engineering of nitrile hydratase activity of papain: molecular dynamics study of a mutant and wild-type enzyme.

Is strong hydrogen bonding in the transition state enough to account for the observed rate acceleration in a mutant of papain

Rapid Enzyme-Catalyzed Heterolytic C−H Bond Cleavage by a Base Strength Amplification Mechanism: A Theoretical Examination of the Mechanism of Oxidation of Vitamin K

Identifying the Intermediate in the Dioxygen Transfer from 4a-Hydroperoxyflavin Anion to Phenolate and Indole Anions☆