韓葳葳個人簡歷 職稱：教授（博士生導師） 最高學位：博士 工作地點：吉林大學生命科學樓207室

研究方向：

    1.酶結構與功能的關系

    2.計算機輔助藥物設計

    3.計算結構生物學

    4. 機器學習

教育經歷：

    2002.9-2007.6 吉林大學理論化學研究所    博士

    1993.9-1997.7 東北師范大學化學系        學士

工作經歷：

    2015.12-2016.12    密蘇里大學                              訪問學者

    2014.10-至今     分子酶學工程教育部重點實驗室     教授

    2009.9-2014.9    分子酶學工程教育部重點實驗室     副教授

    2007.7-2009.9    分子酶學工程教育部重點實驗室     講師

   1997.9-2002.7    裝甲兵技術學院基礎部數學室        教員

研究成果：

文章：

1.         Ye Liu , Yuzhong Wan, Jingxuan Zhu, Muxin Li,   zhengfei Yu, Jiarui Han, Zuoming Zhang ， WeiweiHan * Exploration of catalytic INVALIDivity for aminotransferase   （BtrR） based on multiple molecular dynamics simulations. Int. J. Mol. Sci.   2019, 20（5）:1188.

2.         Jingxuan Zhu, Yi Li, Jinzhi Wang, Zhengfei Yu, Ye   Liu, Yi Tong*, Weiwei Han*.   Adaptive steered molecular dynamics combined with protein structure networks   revealing the mechanism of Y68I/G109P mutations that enhance the catalytic   activity of D-psicose 3-Epimerase from Clostridium Bolteae. Front. Chem. 2018, 6: 437.

3.         Ye Liu, Zhengfei Yu, Jingxuan Zhu, Song Wang,   Dong Xu*, Weiwei Han*. Why is a   high temperature needed by thermus thermophilus argonaute during mRNA   silencing: a theoretical study. Front.   Chem. 2018, 6: 223.

4.         Jingxuan Zhu, Yishuo Lv, Xiaosong Han, Dong Xu*, Weiwei Han*. Understanding the   differences of the ligand binding/unbinding pathways between phosphorylated   and non-phosphorylated ARH1 using molecular dynamics simulations. Sci. Rep., 2017, 7（1）: 12439.

5.         Ye Liu, Yan Wang, Jingxuan Zhu, Zhengfei Yu,   Xiaopian Tian, Jiarui Han, Zuoming Zhang, Weiwei Han*. Theoretical   study on zearalenol compounds binding with wild type zearalenone hydrolase   and V153H mutant. Int. J. Mol. Sci. 2018,   19（9）: 2808.

6.         Mengdan Qian, Yaming Shan, Shanshan Guan, Hao   Zhang, Weiwei Han*, Song Wang*.   Structural basis of fullerene derivatives as novel potent Inhibitors of   protein tyrosine phosphatase 1B: Insight into the inhibitory mechanism   through molecular modeing studies. J.   Chem. Inf. Model., 2016, 56（10）: 2024-2034.

7.         Weiwei Han*, Jingxuan Zhu, Song Wang, Dong Xu. Understanding   the phosphorylation mechanism by using quantum chemical calculations and   molecular dynamics simulations. J.   Phys. Chem. B, 2017, 2121（15）: 3565-3573.

8.         Jingxuan Zhu, Yan Wang, Xin Li, Weiwei Han*, Li Zhao*. Understanding   the interactions of different substrates with wild-type and mutant   acylaminoacyl peptidase using molecular dynamics simulations. J. Biomol. Struct. Dyn., 2017, 20:   1-18.

9.         Hanyong Jin, Jingxuan Zhu, Yang Dong, Weiwei Han*. Exploring the different   ligand escape pathways in acylaminoacyl peptidase by random acceleration and   steered molecular dynamics simulations. Rsc   Adv., 2016, 6: 10987-10996.

10.      Liyun Zou, Jingxuan Zhu, Yang Dong, Weiwei Han*, Yingjie Guo*, Hui Zhou*.   Models for the binding channel of wild type and mutant transthyretin with   glabridin. Rsc Adv., 2016, 6,   96816.

11.      Shanshan Guan, Li Zhao, Hanyong Jin, Ning Shan, Weiwei Han*, Song Wang*, Yaming   Shan*. Binding modes of phosphotriesterase-like lactonase complexed with   δ-nonanoic lactone and paraoxon using molecular dynamics simulations. J. Biomol. Struct. Dyn., 2016, 35:   273.

12.      Hanyong Jin, Zhenhuan Zhou, Dongmei Wang,   Shanshan Guan, Weiwei Han*.   Molecular dynamics simulations of acylpeptide hydrolase bound to   Chlorpyrifosmethyl Oxon and Dichlorvos. Int.   J. Mol. Sci., 2015, 16: 6217-6234.

13.      Dongling Zhan, Shanshan Guan, Hanyong Jin, Weiwei Han*, Wang Song*.   StereoINVALIDivity of phosphotriesterase with paraoxon derivatives: a   computational study. J. Biomol. Struct.   Dyn., 2016, 34（3）: 600-11.

14.      Dongmei Wang, Hanyong Jin, Junling Wang, Shanshan   Guan, Zuoming Zhang, Weiwei Han*.   Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases   using steeredmolecular dynamics simulations. J. Biomol. Struct. Dyn., 2016, 34（4）: 749-761.

15.      Dongling Zhan, Aixi Bai, Lei Yu, Weiwei Han*, Feng Yan*.   Characterization of the PH1704 protease from pyrococcus horikoshii OT3 and   the critical functions of Tyr120. Plos   One, 2014, 9: e103902.

16.      Dongling Zhan, Dongmei Wang, Weihong Min*, Weiwei Han*. Exploring the molecular   basis for INVALIDive binding of homoserine dehydrogenase from Mycobacterium   leprae TN toward inhibitors: a virtual screening study. Int. J. Mol. Sci., 2014, 15: 1826-1841.

17.      Dongling Zhan, Lei Yu, Hanyong Jin, Shanshan   Guan, Weiwei Han*. Molecular   modeling and MM-PBSA free energy analysis of endo-1,4-β-xylanase from   Ruminococcus albus 8. Int. J. Mol. Sci.,   2014, 15: 17284-17303.

18.      Dongling Zhan, Zhenhuan Zhou, Shanshan Guan, Weiwei Han*. The effect of   conformational variability of phosphotriesterase upon N-acyl-L-homoserine   lactone and paraoxon binding: insights from molecular dynamics studies. Molecules, 2013, 18: 15501-15518.

19.      Xun Sun, Mengdan Qian, Shanshan Guan, Yaming   Shan, Ying Dong, Hao Zhang*, Song Wang*, Weiwei   Han*. Investigation of an "alternate water supply system" in   enzymatic hydrolysis in the processive endocellulase Cel7A from Rasamsonia   emersonii by molecular dynamics simulation. Biopolymers, 2017, 107: 46-61.

20.      Dongmei Yan, Weiwei   Han, Zehua Dong, Qihui Liu, Zheng Jin, Dong Chu, Yuan Tian, Jinpei Zhang,   Dandan Song, Dunhuang Wang, Xun Zhu*. Homology modeling and docking studies   of ENPP4: a BCG activated tumoricidal macrophage protein. Lipids Health Dis., 2016, 28: 15-19.

21.      Dongling Zhan, Weiwei Han*, Yan Feng*. Experimental and computational studies indicatethe   mutation of Glu12 to increase the thermostability of oligomeric protease from   Pyrococcus horikoshii. J. Mol. Model.,   2011, 17: 1241–1249.

22.      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. J.   Theor. Comput. Chem., 2011, 10: 165-177.

23.      Weiwei Han, Dongling Zhan, Quan Luo, Yihan Zhou, Yuan Yao,   Zesheng Li, Yan Feng*. The substrate specificity and the catalytic mechanism   of N-carbamyl-D-amino acid amidohydrolase: a theoretical investigation. Chem. Phys. Lett., 2009, 472: 107-112.

24.      Weiwei Han, Ying Wang, Yihan Zhou, Yuan Yao, Zesheng Li*,   Yan Feng*. Understanding structural/functional properties of amidase from   rhodococcus erythropolis by computational approaches. J. Mol. Model., 2009, 15: 481-487.

25.      Weiwei Han，Dongling Zhan, Xi Zhao, Song Wang*.. Computational investigation on the   ethylene-induced esterase from Citrus sinensis. Chem. Res. Chinese U., 2009, 26（1）: 128-135.

26.      Yuexi Wang, Ye Wang, Weiwei Han*, Yan Feng*. Improving the enzyme sensitivity of the   organophosphorous compounds by combining experiment and theory methods. Chem. Res. Chinese U., 2012, 28（4）:   707-711.

27.      Weiwei Han, Yihan Zhou, Quan Luo，Yuan Yao, Zesheng Li*. On the 3D structure and   catalytic mechanism study of AmiF formamidase of Helicobacter pylori. Polymer, 2007, 48: 3726-3731.

28.      Weiwei Han, Yihan Zhou, Yuan Yao, Zesheng Li*. The   three-dimensional structure of human aurora-C kinase predicted by homology   modeling and docking study. J. Mol.   Struct., 2007, 815: 87-93.

29.      Weiwei Han, Yihan Zhou, YuanYao, Zehheng Li*. Computational   studies on bergaptol O-methyltransferase from Ammi majus L.: The substrate   specificity. Polymer, 2006, 47:   7953-7961.

30.      Weiwei Han, Zesheng Li, Qingchuan Zheng, Chiachung Sun.   Homology modeling and molecular dynamics studies on the tomato methyl   jasmonate esterase. Polymer, 2006,   47: 1436-1442.

31.      Weiwei Han, Zesheng Li, Qingchuan Zheng, Chiachung Sun.   Toward a blueprint for ?-Primeverosidase from tea leaves structure/function   properties: Homology modeling study. J.   Theor. Comput. Chem., 2006, 5: 433-446.

32.      Dongling Zhan, Nan Gao, Weiwei Han, Yan Feng. Quantum Chemistry Calculation of   Thermophilic Protease PH1704 Allosteric Center and Mutant Dynamics. Chem. Res. Chinese U., 2014, 35（1）: 146-153.

33.      Yuan Yao, Weiwei   Han, Yihan Zhou, Zesheng Li*, Qiang Li, Xiaoyan Chen, Dafang Zhong*. The   metabolism of CYP2C9 and CYP2C19 for gliclazide by homology modeling and   docking study. Eur. J. Med. Chem.,   2009, 44: 854-861.

34.      Quan Luo, Weiwei   Han, Yihan Zhou, Yuan Yao, Zesheng Li*. The 3D Structure of the   defense-related rice protein Pir7b predicted by homology modeling and ligand   binding studies. J. Mol. Model.,   2008, 14: 559-569.

35.      Yuan Yao, Weiwei   Han, Yihan Zhou, Zesheng Li*, Qiang Li, Xiaoyan Chen, Dafang Zhong*.   Catalytic reaction mechanism of human photoreceptor retinol dehydrogenase: A   theoretical study. J. Theor. Comput.   Chem., 2008, 7: 565-578.

36.      Yuan Yao, Weiwei   Han, Yihan Zhou, Zesheng Li*. The 3D-structure and catalytic reaction mechanism   of human photoreceptor retinol dehydrogenase. Polymer, 2007, 48: 2644-2648.

37.      Yuan Yao, Weiwei   Han, Yihan Zhou, Zesheng Li*. Molecular docking study of the affinity of   CYP2C9 and CYP2D6 for Imrecoxib. J.   Theor. Comput. Chem., 2007, 6: 514-548.

38.      Chuan Xiao, Chao Sun, Weiwei Han, Feng Pan, Zhu Dan, Yu Li, Zhiguang Song, Yinghua   Jin*. Synthesis of 6-（het） ary Xylocydine analogues and evaluating their   inhibitory activities of CDK1 and CDK2 in vitro. Bloorgan Med. Chem., 2011, 19: 7100–7110.

39.      Quan Luo, Yuan Yao, Weiwei Han, Yihan Zhou, Zesheng Li*. Homology modeling of a novel   epoxide hydrolase （EH） from Aspergillus niger SQ-6: structure-activity   relationship in expoxides inhibiting EH activity. J. Mol. Model., 2009, 15: 1125-1132.

項目：

1.       吉林省科技發展極化項目 嗜熱內脂酶：基于大分子反應通道的分子設計（3D517G951465）, 2017. 1-2019.12

2.       吉林省重大科技攻關項目 高效有機磷水解酶的制備及其在消除果蔬農藥殘留中的應用 （20140203025NY），2014.1-2016.

3.       973計劃子課題 幾類微生物代謝中的重要酶的結構與催化反應機理的理論研究（2012CB721003），2012.1-2016.12