季长鸽 硕士生导师
化学与分子工程学院??????


导航
个人资料
研究方向
开授课程
科研项目
学术成果
荣誉及奖励







个人资料
部门： 化学与分子工程学院
毕业院校： 南京大学
学位： 博士
学历： 博士
邮编：
联系电话： **
传真：
电子邮箱： chicago.ji@gmail.com
办公地址： 中山北路3663，三馆277
通讯地址： 上海市中山北路3663号，三馆277

教育经历
2000.9--2004.7 南京大学 本科
2004.9--2009.6 南京大学 博士


工作经历
2009.7--2009.12 华东师范大学 研究助理
2010.1-- 现在 华东师范大学 副研究员
2016.9--2017.9 剑桥大学 访问****


个人简介

社会兼职


研究方向
计算药物设计 http://xundrug.cn



开授课程
分子模拟的理论与实践 （2010，2011, 2012）
生物统计学 （2012，2013）
计算机辅助药物设计 （2012, 2013, 2014）
药物设计 （2015, 2016, 2018, 2019, 2020）
人工智能与药物设计 ( 2020, 2021)
人工智能与分子设计 ( 2020 )



科研项目


学术成果
1. Ji, C.G; Mei, Y.^*, Some Practical Approaches to Treating Electrostatic Polarization of Proteins. Accounts of Chemical Research 2014,47 (9), 2795-2803.

2. Ji, C.G.; Mei, Y.; Zhang, J. Z. H.^*, Developing polarized protein-specific charges for protein dynamics: MD free energy calculation of pK(a) shifts for Asp(26)/Asp(20) in thioredoxin. Biophysical Journal 2008,95 (3), 1080-1088.

3. Ji, C. G.*; Zhang, J. Z. H.^*, Understanding the Molecular Mechanism of Enzyme Dynamics of Ribonuclease A through Protonation/Deprotonation of HIS48. Journal of the American Chemical Society 2011, 133 (44), 17727-17737.

4. Ji, C. G.; Zhang, J. Z. H.^*, Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2 ' Domains in Ligand Binding to PPAR-gamma. Journal of the American Chemical Society 2008,130 (50), 17129-17133.

5. Ji, C. G.*; Xiao, X.; Zhang, J. Z. H.^*, Studying the Effect of Site-Specific Hydrophobicity and Polarization on Hydrogen Bond Energy of Protein Using a Polarizable Method. Journal of Chemical Theory and Computation 2012,8 (6), 2157-2164.

6. Ji, C. G.; Zhang, J. Z. H.^*, Electronic Polarization Is Important in Stabilizing the Native Structures of Proteins. Journal of Physical Chemistry B 2009, 113 (49), 16059-16064.

7. Ji, C. G.; Zhang, J. Z. H.^*, NMR Scalar Coupling Constant Reveals That Intraprotein Hydrogen Bonds Are Dynamically Stabilized by Electronic Polarization.Journal of Physical Chemistry B 2009, 113 (42), 13898-13900.

8. Ji, C. G.*; Zhang, J. Z. H.^*, Quantifying the Stabilizing Energy of the Intraprotein Hydrogen Bond Due to Local Mutation. Journal of Physical Chemistry B 2011, 115 (42), 12230-12233.

9. Ji, C. G.*; Zhang, J. Z. H.^*, Effect of Interprotein Polarization on Protein-Protein Binding Energy. Journal of Computational Chemistry 2012, 33 (16), 1416-1420.

10. Jiang, J.; Ma, X.; Ji, C.G.; Guo, Z.; Shi, T.; Liu, S.^*; Hu, W.^*, Ruthenium(II)/Chiral Bronsted Acid Co-Catalyzed Enantioselective Four-Component Reaction/Cascade Aza-Michael Addition for Efficient Construction of 1,3,4-Tetrasubstituted Tetrahydroisoquinolines. Chemistry-a European Journal 2014, 20 (6), 1505-1509.

11. Li, Y.; Ji, C.G.*; Xu, W.^*; Zhang, J. Z. H.^*, Dynamical Stability and Assembly Cooperativity of beta-Sheet Amyloid Oligomers - Effect of Polarization. Journal of Physical Chemistry B2012, 116 (45), 13368-13373.
12. Mei, Y.; Ji, C.G.; Zhang, J. Z. H.^*, A new quantum method for electrostatic solvation energy of protein. Journal of Chemical Physics 2006, 125 (9).

13. Song, J.; Ji, C.G.*; Zhang, J. Z. H.^*, Unveiling the gating mechanism of ECF Transporter RibU. Scientific Reports 2013, 3.

14. Song, J.; Ji, C.G.*; Zhang, J. Z. H.^*, The critical effect of polarization on the dynamical structure of guanine quadruplex DNA. Physical Chemistry Chemical Physics 2013, 15 (11), 3846-3854.

15. Song, J.; Ji, C.G.*; Zhang, J. Z. H.^*, Insights on Na+ binding and conformational dynamics in multidrug and toxic compound extrusion transporter NorM. Proteins-Structure Function and Bioinformatics 2014, 82 (2), 240-249.

16. Song, J.; Li, Y.; Ji, C.G.*; Zhang, J. Z. H.^*, Functional Loop Dynamics of the Streptavidin-Biotin Complex. Scientific Reports 2015, 5.

17. Tong, Y.; Ji, C. G.; Mei, Y.; Zhang, J. Z. H.^*, Simulation of NMR Data Reveals That Proteins' Local Structures Are Stabilized by Electronic Polarization. Journal of the American Chemical Society 2009, 131 (24), 8636-8641.

18. Tong, Y.; Mei, Y.^*; Li, Y. L.; Ji, C. G.; Zhang, J. Z. H.^*, Electrostatic Polarization Makes a Substantial Contribution to the Free Energy of Avidin-Biotin Binding. Journal of the American Chemical Society 2010, 132 (14), 5137-5142.

19. Wang, X.; Ji, C. G.*; Zhang, J. Z. H.^*, Glycosylation Modulates Human CD2-CD58 Adhesion via Conformational Adjustment. Journal of Physical Chemistry B 2015, 119 (22), 6493-6501.

20. Wang, X. Y.; Ji, C. G.*; Zhang, J. Z. H.^*, Exploring the Molecular Mechanism of Stabilization of the Adhesion Domains of Human CD2 by N-Glycosylation. Journal of Physical Chemistry B2012, 116 (38), 11570-11577.

21. Xiao, X.; Zhu, T.; Ji, C. G.*; Zhang, J. Z. H.^*, Development of an Effective Polarizable Bond Method for Biomolecular Simulation. Journal of Physical Chemistry B 2013, 117 (48), 14885-14893.

22. Yang, J.; Song, J.; Zhang, J. Z. H.; Ji, C.G.*, Effect of mismatch on binding of ADAR2/GluR-2 pre-mRNA complex. Journal of Molecular Modeling 2015, 21 (9).

23. Yao, X.; Ji, C.G.*; Xie, D.; Zhang, J. Z. H.^*, Interaction specific binding hotspots in Endonuclease colicin-immunity protein complex from MD simulations. Science China-Chemistry 2013, 56 (8), 1143-1151.

24. Yao, X. X.; Ji, C. G.*; Xie, D. Q.; Zhang, J. Z. H.^*, Molecular dynamics study of DNA binding by INT-DBD under a polarized force field. Journal of Computational Chemistry 2013, 34 (13), 1136-1142.

25. Zhu, T.; Xiao, X.; Ji, C.G.*; Zhang, J. Z. H.^*, A New Quantum Calibrated Force Field for Zinc-Protein Complex. Journal of Chemical Theory and Computation 2013, 9 (3), 1788-1798.

26. Duan, L. L.; Gao, Y.; Ji, C. G.; Mei, Y.; Zhang, Q. G.; Tang, B.; Zhang, J. Z. H., Energetics of protein backbone hydrogen bonds and their local electrostatic environment. Science China-Chemistry 2014, 57 (12), 1708-1715.




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