Current position: Shijun Zhong @ Computational Chemistry Lab >> Scientific Research >> Paper Publications

Shijun Zhong

Personal Information

Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[1]Shijun Zhong.Covalent bond-contained intermolecular interaction between TB BlaC and carbapenems[A],The 15th International Congress of Quantum Chemistry,2022
[2]zhaodan, Shijun Zhong.Binding mechanisms of varic acid inhibitors on protein tyrosine phosphatase 1B and in silico desi...[J],MOLECULAR SIMULATION,2022,47(9):771-784
[3]chuyuzhuo, Sun, Lu, Shijun Zhong.How Y357F, Y276F mutants affect the methylation activity of PRDM9: QM/MM MD and free energy sim...[J],JOURNAL OF MOLECULAR MODELING,2022,21(5):125
[4]Sun, Lu, Fan, Hongjun, Shijun Zhong.Evaluating the covalent binding of carbapenems on BlaC using noncovalent[J],Journal of molecular modeling,2022,27(6):161
[5]Sun, Lu, Fu, Tingting, zhaodan, Fan, Hongjun, Shijun Zhong.Divide-and-link peptide docking: a fragment-based peptide docking protocol[J],PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2022,23(39):22647-22660
[6]zhaodan, Sun, Lu, Shijun Zhong.Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screen...[J],MOLECULAR DIVERSITY,2022
[7]解昭, 钟世钧.探究Pd掺杂Au、Ag、Cu、Ni团簇的稳定性[A],2018,1
[8]钟世钧.Assessment of The Peptide-Protein Binding Performances[A],2018
[9]钟世钧.分子间静电相互作用能的计算:用分子静电势还是原子电荷[A],2018
[10]卢晓琴, 钟世钧.分子间相互作用计算:重新参数化的B3LYP杂化泛函[A],2017,75-75

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