- [1] 崔錾. In Silico-Guided Discovery of Polysaccharide Derivatives as Adjuvants in Nanoparticle Vaccines for Cancer Immunotherapy. ACS nano, 2025.
- [2] 马振宇. Membrane lipid homeostasis dually regulates conformational transition of phosphoethanolamine transferase EptA. NATURE COMMUNICATIONS, 15, 2024.
- [3] 刘卓. Enhanced Sampling Molecular Dynamics Simulations Reveal Transport Mechanism of Glycoconjugate Drugs through GLUT1. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES , 2024.
- [4] . Engineering the substrate preference of glucose oxidase for the enzymatic oxidation of xylose. GREEN CHEMISTRY, 26, 4851, 2024.
- [5] 朱景一. Molecular Dynamics Simulations Reveal Octanoylated Hyaluronic Acid Enhances Liposome Stability, Stealth and Targeting. ACS Omega, 2024.
- [6] 赵沙. Engineering the Relatively Conserved Residues in Active Site Architecture of Thermophilic Chitinase SsChi18A Enhanced Catalytic Activity. Biomacromolecules, 25, 2023.
- [7] 蒋绪恺. Structure-Interaction Relationship of Polymyxins with Lung Surfactant. Journal of Medicianal Chemistry, 66, 16109-16119, 2023.
- [8] 马振宇. Molecular dynamics simulations identify the topological weak spots of a protease CN2S8A. 《JOURNAL OF MOLECULAR GRAPHICS & MODELLING》, 124, 2023.
- [9] 吴秀芸. Dynamics of loops surrounding the active site architecture in GH5_2 subfamily TfCel5A for cellulose degradation. BIOTECHNOLOGY FOR BIOFUELS AND BIOPRODUCTS, 2023.
- [10] Zhong Li. Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase. NATURE COMMUNICATIONS, 14, 2023.
- [11] 许立美. Gasdermin E regulates the stability and activation of EGFR in human non-small cell lung cancer cells. CELL COMMUNICATION AND SIGNALING , 2023.
- [12] 蒋绪恺. 分子模拟在多粘菌素药理机制研究中的应用. Progress in Biochemistry and Biophysics, 50, 1-8, 2023.
- [13] 曹雪婷. Molecular Dynamics Simulations Reveal the Conformational Transition of GH33 Sialidases. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24, 2023.
- [14] 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, 2023.
- [15] . 壳聚糖与细菌细胞膜相互作用的分子动力学研究. PIBB, 50, 1-12, 2023.
- [16] 蒋绪恺. An Intelligent Strategy with All-Atom Molecular Dynamics Simulations for the Design of Lipopeptides against Multidrug- Resistant Pseudomonas aeruginosa. Journal of Medicianal Chemistry, 65, 10001, 2022.
- [17] 张鹏. Docking-guided rational engineering of a macrolide glycosyltransferase glycodiversifies epothilone B. COMMUNICATIONS BIOLOGY, 5, 2022.
- [18] 刘晓宇. Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin. MBIO, 13, 2022.
- [19] 杨世达. Novel dTDP- l -Rhamnose Synthetic Enzymes (RmlABCD) From Saccharothrix syringae CGMCC 4.1716 for One-Pot Four-Enzyme Synthesis of dTDP-L-Rhamnose.. Frontiers in Microbiology., 2021.
- [20] 阎振鑫. A Novel β-Glucosidase from Chryseobacterium scophthalmum 1433 for Efficient Rubusoside Production from Stevioside.. Frontiers in Microbiology, 2021.