华东师范大学化学与分子工程学院季长鸽

erdingxi

季长鸽
副研究员硕士生导师
化学与分子工程学院
上海市分子治疗与新药创制工程技术研究中心
办公地点： 中山北路3663，三馆277
电子邮箱： chicago.ji@gmail.com
通讯地址： 上海市中山北路3663号，三馆277
研究方向
计算药物设计     http://xundrug.cn   


教育及工作经历：
2000.9--2004.7   南京大学     本科
2004.9--2009.6   南京大学     博士
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     访问学者
课程讲授：
分子模拟的理论与实践  （2010，2011）
生物统计学         （2012，2013）
计算机辅助药物设计    （2014）
药物设计           （2015）  


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.