Personal Information
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Paper Publications
- [1] 王越. Computational Insights into the Non-Heme Diiron Alkane Monooxygenase Enzyme AlkB: Electronic Structures, Dioxygen Activation, and Hydroxylation Mechanism of Liquid Alkanes. Inorganic Chemistry, 63, 2024.
- [2] 李心怡. Multiscale Study on the Intramolecular C-S Bond Formation Catalyzed by P450 Monooxygenase CxnD Involved in the Biosynthesis of Chuangxinmycin: The Critical Roles of Noncrystal Water Molecule and Conformational Change. Inorganic Chemistry, 63, 4086, 2024.
- [3] 张祥辉. Computational Insights into the Catalysis of the pH Dependence of Bromite Decomposition Catalyzed by Chlorite Dismutase from Dechloromonas aromatica (DaCld). Inorganic Chemistry, 63, 2024.
- [4] . Chemoenzymatic Synthesis of Fluorinated Mycocyclosin Enabled by the Engineered Cytochrome P450-Catalyzed Biaryl Coupling Reaction. Journal of American Chemical Society, 146, 2024.
- [5] 李心怡. Computational insights into the binding modes, keto–enol tautomerization and stereo-electronically controlled decarboxylation of oxaloacetate in the active site of macrophomate synthase. Physical chemistry chemical physics, 2024.
- [6] 张雪. Computational Insights into the Intramolecular Aromatic C？C Coupling Catalyzed by the Cytochrome P450 Enzyme CYP121 from Mycobacterium tuberculosis. Inorganic Chemistry, 63, 2024.
- [7] 张祥辉. Direct Electrophilic Attack of Compound I on the Indole Ring in the Peroxygenase Mechanism of Dehaloperoxidase DHP B in Degrading Haloindole: Electron Transfer Promotes the Reaction. Inorganic Chemistry, 2023.
- [8] 张雪. Computational Study of the Fe(II) and α Ketoglutarate-Dependent Aryloxyalkanoate Dioxygenase (AAD-1) in the Degradation of the Herbicide 2,4-Dichlorophenoxyacetic Acid. J. Chem. Inf. Model., 63, 2759, 2023.
- [9] 刘雅茹. Computational Study of Aromatic Hydroxylation Catalyzed by the Iron-Dependent Hydroxylase PqqB Involved in the Biosynthesis of Redox Cofactor Pyrroloquinoline Quinone. Inorganic chemistry, 61, 5943-5956, 2022.
- [10] 王一晶. Dioxygen Activation and Nδ,Nε‐Dihydroxylation Mechanism Involved in the Formation of N‐Nitrosourea Pharmacophore in Streptozotocin Catalyzed by Nonheme Diiron Enzyme SZnF. INORGANIC CHEMISTRY COMMUNICATIONS Journal, 2022.