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    Article

    Theoretical study on the adsorption and oxidation of glucose on Au(111) surface

    While Au-based catalysts recently have shown tremendous potential in glucose oxidation to gluconic acid, the detailed reaction mechanism is still unclear, which impedes the development of direct glucose fuel c...

    Yingying Wang, Zhanna Liu, Hainan Sun, Zhan Yu in Journal of Molecular Modeling (2023)

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    Article

    Quantum chemistry studies of the catalysis mechanism differences between the two isoforms of glutamic acid decarboxylase

    The production of gamma-aminobutyric acid (GABA) is catalyzed by two isoforms of glutamic acid decarboxylase (GAD), using pyridoxal 5′-phosphate (PLP) as the cofactor. Between the two enzymes, GAD67 accounts f...

    Chunling Wang, Rongxiu Zhu, Hainan Sun, Baiqing Li in Journal of Molecular Modeling (2013)