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. Engineering the substrate preference of glucose oxidase for the enzymatic oxidation of xylose. GREEN CHEMISTRY, 26, 4851, 2024.
刘卓. Enhanced Sampling Molecular Dynamics Simulations Reveal Transport Mechanism of Glycoconjugate Drugs through GLUT1. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES , 2024.
蒋绪恺. Structure-Interaction Relationship of Polymyxins with Lung Surfactant. Journal of Medicianal Chemistry, 66, 16109-16119, 2024.
窦智欣. Data-driven strategies for the computational design of enzyme thermal stability: trends, perspectives, and prospects. Acta Biochimica et Biophysica Sinica, 55, 343-355, 2024.
赵沙. Engineering the Relatively Conserved Residues in Active Site Architecture of Thermophilic Chitinase SsChi18A Enhanced Catalytic Activity. Biomacromolecules, 25, 2024.
宋宇轩. Comparative molecular dynamics simulations identify a salt-sensitive loop responsible for the halotolerant activity of GH5 cellulases. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS, 2023.
蒋绪恺. Molecular dynamics simulations informed by membrane lipidomics reveal the structure-interaction relationship of polymyxins with the lipid A-based outer membrane of Acinetobacter baumannii. Journal of Antimicrobial Chemotherapy, 3534, 2023.
曹雪婷. Molecular Dynamics Simulations Reveal the Conformational Transition of GH33 Sialidases. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24, 2023.

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