季长鸽 - 华东师范大学 - 化学与分子工程学院

个人简介

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

研究领域

主要从事计算药物设计方面的研究工作，致力于发展高效实用的药物设计软件。近几年开发了蛋白配体亲和力预测软件rbSCORE、分子潜在毒性分析软件eMolTox、基于蛋白结构的分子片段替换软件FragRep、生物等排置换软件MolOpt、基于图神经网络的小分子pKa预测软件MolGpKa等。

近期论文

查看导师最新文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Ji, C.G; Mei, Y.*, Some Practical Approaches to Treating Electrostatic Polarization of Proteins. Accounts of Chemical Research 2014,47 (9), 2795-2803. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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). Song, J.; Ji, C.G.*; Zhang, J. Z. H.*, Unveiling the gating mechanism of ECF Transporter RibU. Scientific Reports 2013, 3. 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. 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. Song, J.; Li, Y.; Ji, C.G.*; Zhang, J. Z. H.*, Functional Loop Dynamics of the Streptavidin-Biotin Complex. Scientific Reports 2015, 5. 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. 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. 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. 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. 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. 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). 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. 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. 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. 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.