刘俊军 - 华中科技大学

个人简介

1998 - 2002年，华中师范大学化学学院，理学学士 2002 - 2009年，华中师范大学化学学院，硕博连读 2006 - 2009年，美国肯塔基大学药学院，联合培养，2009年回华中师范大学答辩获得博士学位 2009 - 2010年，美国肯塔基大学药学院，博士后研究员 2011 -至今，华中科技大学同济医学院药学院，副教授，博士生导师

研究领域

主要从事计算药物设计和发现，以及与之相关的生物大分子（蛋白质或DNA）同底物分子作用的分子结构和反应机理的研究。

近期论文

查看导师新发文章（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）

1. Liu, J.; Zhan, C.-G., Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (−)-Cocaine. J. Chem. Theory Comput. 2012,8(4), 1426–1435. 2. Yao, Y.;Liu, J.(co-first authors); Zhan, C.-G., Why Does the G117H Mutation Considerably Improve the Activity of Human Butyrylcholinesterase against Sarin? Insights from Quantum Mechanical/Molecular Mechanical Free Energy Calculations. Biochemistry 2012, 51 (44), 8980-8992 3. Liu, J.; Zhao, X.; Yang, W.; Zhan, C.-G., Reaction Mechanism for Cocaine Esterase-Catalyzed Hydrolyses of (+)- and (+)-Cocaine: Unexpected Common Rate-Determining Step. J. Phys. Chem. B2011, 115 (17), 5017–5025. 4. Liu, J.; Kelly, C. P.; Goren, A. C.; Marenich, A. V.; Cramer, C. J.; Truhlar, D. G.; Zhan, C.-G., Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell. J. Chem. Theory Comput. 2010, 6 (4), 1109-1117. 5. Wei, D.; Huang, X.;Liu, J.; Tang, M.; Zhan, C.-G., Reaction Pathway and Free Energy Profile for Papain-Catalyzed Hydrolysis of N-Acetyl-Phe-Gly 4-Nitroanilide. Biochemistry 2012, 52 (30), 5145-5154. 6. Xiong, Y.;Liu, J. (co-first authors); Yang, G. F.; Zhan, C.-G., Computational determination of fundamental pathway and activation barriers for acetohydroxyacid synthase-catalyzed condensation reactions of alpha-keto acids. J. Comput. Chem. 2010, 31 (8), 1592-602. 7. Liu, J.; Hamza, A.; Zhan, C.-G., Fundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esterase. J. Am. Chem. Soc. 2009, 131 (33), 11964-75. 8. Liu, J.; Zhang, Y.; Zhan, C.-G., Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase. J. Phys. Chem. B 2009, 113 (50), 16226-36. 9. Chen, X.; Fang, L.;Liu, J.; Zhan, C.-G., Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Acetylcholine. J. Phys. Chem. B 2010, 115 (5), 1315-1322. 10.Xue, L.; Ko, M. C.; Tong, M.; Yang, W.; Hou, S.; Fang, L.;Liu, J.; Zheng, F.; Woods, J. H.; Tai, H. H.; Zhan, C. G., Design, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine. Mol. Pharmacol. 2011, 79 (2), 290-7. 11.Zheng, F.; Yang, W. C.; Xue, L.; Hou, S. R.;Liu, J.; Zhan, C. G., Design of High-Activity Mutants of Human Butyrylcholinesterase against (-)-Cocaine: Structural and Energetic Factors Affecting the Catalytic Efficiency. Biochemistry 2010, 49 (42), 9113-9119. 12.Hamza, A.; Tong, M.; AbdulHameed, M. D.;Liu, J.; Goren, A. C.; Tai, H. H.; Zhan, C.-G., Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesis. J. Phys. Chem. B 2010, 114 (16), 5605-16. 13.Zheng, F.; Yang, W. C.; Ko, M. C.;Liu, J.; Cho, H.; Gao, D. Q.; Tong, M.; Tai, H. H.; Woods, J. H.; Zhan, C.-G., Most efficient cocaine hydrolase designed by virtual screening of transition states. J. Am. Chem. Soc. 2008, 130 (36), 12148-12155. 14.AbdulHameed, M. D. M.; Hamza, A.;Liu, J.; Zhan, C.-G., Combined 3D-QSAR Modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1. J. Chem. Inf. Model. 2008, 48 (9), 1760-1772. 15.AbdulHameed, M. D. M.; Hamza, A.;Liu, J.; Huang, X. Q.; Zhan, C.-G., Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation. J. Chem. Inf. Model. 2008, 48 (1), 179-185. 16.Bargagna-Mohan, P.; Hamza, A.; Kim, Y. E.; Ho, Y. K. A.; Mor-Valknin, N.; Wendschlag, N.;Liu, J.; Evans, R. M.; Markovitz, D. M.; Zhan, C.-G.; Kim, K. B.; Mohan, R., The tumor inhibitor and antiangiogenic agent withaferin A targets the intermediate filament protein vimentin. Chem. Biol. 2007, 14 (6), 623-634. 17.Zhou, J.; Yuan, G.;Liu, J.; Zhan, C.-G., Formation and stability of G-quadruplexes self-assembled from guanine-rich strands. Chem. Eur. J. 2007, 13 (3), 945-949. 18.Zhang, Q. Y.; Wan, J.; Xu, X.; Yang, G. F.; Ren, Y. L.;Liu, J.; Wang, H.; Guo, Y., Structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by combining CoMFA 3D QSAR modeling and virtual screening. J. Comb. Chem. 2007, 9 (1), 131-138.