The Key Laboratory for Molecular Enzymology and Engineering

Ministry of Education

Jilin University, China

Full Professor

Email: weiweihan@jlu.edu.cn

Research fields:

Theoretical and Computational Studies on the Construction of the 3D Structure of Enzyme

Protein-Ligands Docking

Catalytic Reaction Mechanics for Enzyme Reactions

Qualifications

2007 Ph.D., Jilin University, China

1997 B.Sc., Northeast Normal University, China

Publications (Selected)

1. Hai-nan Lan, Yue-xi Wang, Ming-zhu Zheng, Wei-wei Han, Xin Zheng Using homology modeling, molecular dynamics and molecular docking techniques to identify inhibitor binding regions of somatostatin receptor 1 2013, 29 139-143
2. Zhan dong ling Gao Nam Han Weiwei* Feng Yan Molecular docking and dynamics simulation improving therophilic protease activity of PhpI. CHEM. RES. CHINESE UNIVERSITIES 2013 34(3)66-71.
3. Dongling Zhanb, Yu Zhanga, Yawei Songa Hang Suna, Zesheng Lic, Weiwei Hana*，Jingsheng Liub Computational studies of squalene synthase from Panax ginseng: homology modeling, docking study and virtual screening for a new inhibitor Journal of Theoretical and Computational Chemistry 2012, 11(5), 1101-1106
4. WANG Yue-xi1, WANG Ye1, HAN Wei-wei1* and FENG Yan1,2 Improving Sensitivity of Enzyme to Organophosphorous Compounds by Combining Experiment and Theory Methods CHEM. RES. CHINESE UNIVERSITIES 2012, 28(4), 707—711.
5. Dongling Zhan, Weiwei Han,Yan Feng Experimental and computational studies indicate the mutation of Glu12 to increase the thermostability of oligomeric protease from Pyrococcus horikoshii Journal of Molecular Modeling 2011 Vol 17(6):1241-9. Weiwei Han and Dongling Zhan contributed equally to this work
6. Weiwei Han*，Ye Wang, Quan Luo, Yan Feng Insights into a 3D homology model of arylesterase: the key residues upon protein-ligand docking and MM-PBSA calculations Journal of Theoretical and Computional Chemistry 2011 Vol 10（ 2）165-177
7. Wei-Wei Hana,b，Dong Ling Zhanb, Quan Luoa, Yi-Han Zhoua, Yuan Yaoa, Ze-Sheng Li aand Yan Fengb The substrate specificity and the catalytic mechanism of N-carbamyl-D-amino acid amidohydrolase: a theoretical investigation. Chemical Physics Letters Vol 472 107-112 2009
8. Wei-Wei Hana,b, Ying Wanga, Yi-Han Zhoua, Yuan Yao, Ze-Sheng Li a*and Yan Fengb* Understanding structural/functional properties of amidase from rhodococcus erythropolis by computational approaches. Journal of Molecular Modeling Vol 15 481-487, 2009
9. Wei-Wei Hana*，Dongling Zhana,b, Xi Zhaoc, Song Wangc Computational investigation on the ethylene-induced esterase from Citrus sinensis Chemical Research in Chinese universities Chem. Res. Chinese Universities Vol 26(1), 128—135, 2009
10. Wei-Wei Han, Yi-Han Zhou, Quan Luo,Yuan Yao, Ze-Sheng Li On the 3D structure and catalytic mechanism study of AmiF formamidase of Helicobacter pylori. Polymer Vol 48, 3726-3731, 2007
11. Wei-Wei Han, Yi-Han Zhou, Yuan Yao, Ze-Sheng Li* The Three-dimensional structure of Human aurora-C kinase predicted by homology modeling and docking study Journal of Molecular Structure: THEOCHEM Vol 815 87-93, 2007
12. Wei-Wei Han, Yi-Han Zhou, YuanYao, Ze-Sheng Li Computational studies on bergaptol O-methyltransferase from Ammi majus L.: The substrate specificity. Polymer Vol 47, 7953-7961, 2006
13. Wei-Wei Han, Ze-Sheng Li, Qing-Chuan Zheng, Chia-chung Sun Homology modeling and molecular dynamics studies on the tomato methyl jasmonate esterase. Polymer Vol 47, 1436-1442, 2006
14. Wei-Wei Han, Ze-Sheng Li, Qing-Chuan Zheng, Chia-chung Sun Toward a blueprint for ß-Primeverosidase from tea leaves structure/function properties:Homology modeling study. Journal of Theoretical and Computional Chemistry Vol 5, 433-446, 2006
15. Yuan Yao, Wei-Wei Han, Yi-Han Zhou, Ze-Sheng Li*, Qiang Li, Xiao-Yan Chen, Da-Fang Zhong*The metabolism of CYP2C9 and CYP2C19 for gliclazide by homology modeling and docking study. European Journal of Medicinal Chemistry, Vol 44，854-861，2009
16. Quan Luo, Wei-Wei Han, Yi-Han Zhou, Yuan Yao, Ze-Sheng Li* The 3D Structure of the defense-related rice protein Pir7b predicted by homology modeling and ligand binding studies. Journal of Molecular Modeling Vol14，559-569，2008
17. Yuan Yao, Wei-Wei Han, Yi-Han Zhou, Ze-Sheng Li*, Qiang Li, Xiao-Yan Chen, Da-Fang Zhong*Catalytic Reaction Mechanism of Human Photoreceptor Retinol Dehydrogenase: A Theoretical Study. Journal of Theoretical and Computional Chemistry Vol 7, 565-578, 2008
18. Yuan Yao, Wei-Wei Han, Yi-han Zhou, Ze-sheng Li* The 3D-Structure and Catalytic Reaction Mechanism of Human Photoreceptor Retinol Dehydrogenase. Polymer Vol 48, 2644-2648, 2007
19. Yuan Yao, Wei-Wei Han, Yi-Han Zhou and Ze-Sheng Li* Molecular Docking Study of The Affinity of CYP2C9 and CYP2D6 for Imrecoxib. Journal of Theoretical and Computional Chemistry Vol 6, 514-548 2007
20. Shanshan Yu1, Songcheng Yu1, Weiwei Han1, Honglei Wang1, Baisong Zheng1, Yan Feng1,2*A novel thermophilic lipase from Fervidobacteriumnodosum Rt17-B1 representing a new subfamily of bacterial lipases Journal of Molecular Catalysis B: Enzymatic Vol 66, 81–89 2010
21. Quan Luo, YuanYao1, Wei-WeiHan1, Yi-Han Zhou1 and Ze-Sheng Li1 Homology modeling of a novel epoxide hydrolase (EH) from Aspergillus niger SQ-6: structure-activity relationship in expoxides inhibiting EH activity Journal of Molecular Modeling Vol 15, 1125-1132 2009

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Last Updated: July, 2013.