Liu Junjun

Academic Degrees

PhD in Organic Chemistry, 2009, Central China Normal University, WuHan, China;

Bachelor in Chemistry, 2002, Central China Normal University, WuHan, China.

Professional Experience

Associate Professor (2011-present); School of Pharmacy, HUST

Postdoctoral Scholar (2009-2010); College of Pharmacy, University of Kentucky, USA

Visiting Scholar (2006-2009); College of Pharmacy, University of Kentucky, USA

Selected Publications

1.  

2. Huang, J.; Zhu, Y.; Sun, B.; Yao, Y. ;Liu, J.*,Determination of the protonation state of the Asp dyad: conventional molecular dynamics versus thermodynamic integration.J. Mol. Model.2016,22, 58.

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4. An, Y.; Zhu, Y.; Yao, Y.* ;Liu, J. *,Is it possible to reverse aged acetylcholinesterase inhibited by organophosphorus compounds? Insight from the theoretical study.Phys. Chem. Chem. Phys.2016,18, 9838-46.

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6. Zhang, X.;Liu, J.; Huang, L.; Yang, X.; Petersen, R. B.; Sun, Y.; Gong, H.; Zheng, L. ;Huang, K.,How the imidazole ring modulates amyloid formation of islet amyloid polypeptide: A chemical modification study.Biochim. Biophys. Acta2016,1860, 719-26.

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8. Tang, Y.; Xue, Y.; Du, G.; Wang, J.;Liu, J.; Sun, B.; Li, X. N.; Yao, G.; Luo, Z. ;Zhang, Y.,Structural Revisions of a Class of Natural Products: Scaffolds of Aglycon Analogues of Fusicoccins and Cotylenins Isolated from Fungi.Angew. Chem. Int. Ed. Engl.2016,55, 4069-73.

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10. Yao, Y.;Liu, J.;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.Biochemistry2012,51, 8980-8992.

11.  

12. Liu, J.;Zhan, C.-G.,Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (−)-Cocaine.J. Chem. Theory. Comput.2012,8, 1426-1435.

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14. 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, 5017-25.

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16. Liu, J.; Kelly, C.; 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, 1109-1117.

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18. Liu, J.; Zhang, Y. ;Zhan, C. G.,Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase.J. Phys. Chem. B2009,113, 16226-36.

10. 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, 11964-75.

Courses Taught

0702106: Advanced Mathematics (for International Students)

0702721: Physical Chemistry (for International Students)

0702726: Physical Chemistry