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个人信息Personal Information
教授
博士生导师
硕士生导师
性别：男
毕业院校：厦门大学
学位：博士
所在单位：生物工程学院
学科：物理化学. 生物化工. 生物工程与技术
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钟世钧计算化学与...
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科学研究
研究领域
量子化学、分子动力学模拟、计算机辅助药物设计，发展方法和应用研究。
- 钟世钧.Covalent bond-contained intermolecular interaction between TB BlaC and carbapenems[A],The 15th International Congress of Quantum Chemistry,2022
- 赵丹.钟世钧.Binding mechanisms of varic acid inhibitors on protein tyrosine phosphatase 1B and in silico design of the novel derivatives[J],MOLECULAR SIMULATION,2022,47(9):771-784
- 初宇卓.Sun, Lu,钟世钧.How Y357F, Y276F mutants affect the methylation activity of PRDM9: QM/MM MD and free energy simulations[J],JOURNAL OF MOLECULAR MODELING,2022,21(5):125
- Sun, Lu.Fan, Hongjun,钟世钧.Evaluating the covalent binding of carbapenems on BlaC using noncovalent[J],Journal of molecular modeling,2022,27(6):161
- Sun, Lu.Fu, Tingting,赵丹,Fan, Hongjun,钟世钧.Divide-and-link peptide docking: a fragment-based peptide docking protocol[J],PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2022,23(39):22647-22660
- 赵丹.Sun, Lu,钟世钧.Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach[J],MOLECULAR DIVERSITY,2022