Fu Wei

Professor, School of Pharmacy;

Medicinal Chemistry(double employment on campus)

Educational experience

1990.07 – 1994.06 Bachelor of Chemistry, Jilin University

1996.09 – 2001.06 Ph.D., Institute of Theoretical Chemistry, Jilin University

Work Experience 1994.08 - 1996.08 Jilin Petrochemical Research Institute Assistant

2001.07 - 2003.09 Postdoctoral fellow, Shanghai Institute of Materia Medica, Chinese Academy of Sciences

2003.10 – 2006.09 Postdoctoral fellow, University of Houston, USA

2006.09 - 2006.12 Barcelona Supercomputing Center

2006.12 - 2012.11 Associate Researcher and Master Supervisor, School of Pharmacy, Fudan University

2012.11 - Present Professor and Doctoral Supervisor, School of Pharmacy, Fudan University

Expert category

NeoTrident's first generation user-oriented computer-aided drug design professional committee expert

Major scientific contributions

A series of important progress has been made in the molecular design and discovery of drugs targeting monoamine GPCR receptors in the central nervous system for mental/nervous diseases, mainly including:

1. Developed a new technology for dynamic drug virtual screening, proposed a new concept of dynamic binding mode, designed and synthesized a new structure type of high activity (nM level) small molecule compound 300 targeting dopamine receptors and 5-hydroxytryptamine receptors More than one, the signal transduction mechanism of these small molecular compounds on dopamine receptors and serotonin receptors was preliminarily revealed, and a dynamic virtual screening method was established.

2. For the first time, molecular simulation technology was applied to the design and delivery mechanism of the brain-targeted drug delivery system, revealing the molecular mechanism of brain-targeted drug delivery, and using the drug delivery system to target the delivery of self-developed nerve/mental drugs Small molecules enter the brain.

3. Cultivated 3 postdoctoral fellows, 2 doctoral students, and 7 master students, among whom 3 master students won national scholarships.

Undertaking scientific research projects

1. General project of the National Natural Science Foundation of China, 82073765, "Research on Molecular Drugability of Dihydroquinoline RORγt Inverse Agonists for Psoriasis Treatment" 2021/01-2024/12, 550,000 yuan, in research, host

2. General project of the National Natural Science Foundation of China, 81773635, "Study on the druggability of arylaminomethyl-piperidine/tetrahydronaphthalene mu/delta opioid receptor dual efficacy analgesic molecules" 2018/01-2021/12, 48 RMB 10,000, in research, host

3. General project of the National Natural Science Foundation of China: Molecular design, synthesis and pharmacological research of novel D2 antagonist/5-HT1A agonist dual-effect antipsychotic drugs, 2012-2015 (81172919);

4. Design, synthesis and biological activity research of novel D1, D3 receptor dual-target anti-Parkinson drug, National Natural Science Foundation of China, 2015.01-2018.12, (81473136); host

5. National Natural Science Foundation of China Youth Fund Project 1: Molecular Design of Dopamine D2 Receptor Antagonist Dual Function Nonclassical Tranquilizers, 2008.01-2010.12 (20702009); Host

6. Shanghai Science and Technology Commission Biomedical Science and Technology Support Project, 20S11902400, "Preclinical research on psoriasis therapeutic molecule E40", 2019/07-2021/09, 2020.10.01-2023.9.30, RMB 500,000, host;

7. Shanghai Municipal Science and Technology Commission Science and Technology Support Fundamental Key Project in the Biomedical Field, 14431900500, "FW-2-115 Preclinical Research", 2019/07-2021/09, 600,000 yuan, host, rolling support

8. Shanghai Science and Technology Action Plan (Science and Technology Support in the Field of Biomedicine): Research on Molecular Screening of New Drug Analgesic Drugs with μ/δ Dual Function Opioid Receptors Using Tramadol as the Forerunner, 2014.7.1-2017.9.30 (14431900500); Host

9. Molecular Design and Synthesis of Nonclassical Stabilizers with Multi-target Action, Fund for Returned Overseas Students of the Ministry of Education, 2010.4-2010.4; Host

10. Agilent University Funding Project, August 2008-August 2009, (0557); host

11. National Ph.D. New Teacher Fund, January 2008-December 2010, (20070246092); host

12. Project of Shanghai Municipal Health Bureau, Molecular Design and Synthesis of Opioid Receptor κ Subtype Selective Ligand, January 2008-December 2009 (2007089); Host

13.973 Project, Regulatory mechanism of endogenous metabolite H2S on cardiac cell ion channels and angiogenesis pathways, 2010.1-2014.8 (2010CB912601), academic backbone

14. 863 Program, Information Integration System for New Drug R&D Based on Active Small Molecule Screening and Functional Exploration (2009AA02Z308), general academic backbone

Awards and Honors

2020 "Drug Design" national first-class online and offline courses

2019 Advanced Individual in Undergraduate Teaching of School of Pharmacy, Fudan University

2018 Fudan University School of Pharmacy Dean Award

2014.08 The second prize of the Science and Technology Progress Award of the Chinese Pharmaceutical Association (the seventh completer)

2012 "Drug Design" Shanghai Excellent Course Team

2005.02 The 5th McLaughlin Infection and Immunity Conference of the Texas-UK Joint Research Organization, Travel Award, first place

2006.05 The 11th Structural Biology Annual Meeting Best Work Achievement Presentation Award, (UTMB), the first

2005.04 "Exemplary Leader" for the summer bachelor training at the University of South Texas

2003.08 Second Prize of the Ninth Shanghai Science and Technology Paper Grand Prix, the first

social work

2013.05 – Now a member of the American Chemical Society

2012 – 2014 Ministry of Education Returned Overseas Personnel Fund Review Initiation Expert

2013 – Editor of Chemical Biology & Drug Design, an SCI journal under Elsevier

2015.01- now editor of "Fudan Journal"

2012 – Member of Chinese Chemical Society

2012 – Now the first session of CADD product experts oriented to user needs

scientific research

focus on:

Editor-in-Chief:

1. Fu Wei , Ye Deyong: "Introduction to Computer-Aided Drug Design", 450,000 words, 2017, Chemical Press, published in June

Participating in editorial:

2. Fu Wei , Jin Guozhang, Jiang Hualiang: "Dopamine in the Brain", Chapter 29, 20,000 words, November 2010, published by Shanghai Science and Technology Press

Textbook:

Participating in editorial:

Ye Deyong, Fu Wei , "Drug Design", (Chapter 3--Structure-Based Drug Design, Appendix), 80,000 words, February 2015, Higher Education Press

Patents:

1. Fu Wei ; Zhen Xuechu; Liu Huifang; Shen Qing; Du Peng, Indole benzamide derivatives and their medicinal uses, patent number: ZL 2010 1 0254261.8

2. Fu Wei ; Li Bian, small molecule compounds inhibiting Src non-receptor tyrosine kinase and their medicinal uses, patent number: ZL 2012 1 0426334.6

3. Fu Wei ; Zhen Xuechu; Shen Qing; Xiong Zijun; Deng Xinxian, 4-(4-phenylpiperazinyl) quinazoline derivatives in medicine, patent authorization number: ZL 2011 1 0130565.8

4. Fu Wei ; Li Bian; Gu Xianfeng, 2-(quinazoline-4-amino)-5-thiazolecarboxamide derivatives and their biopharmaceutical applications, ZL 2012 1 0426407.1

5. Fu Wei ; Du Peng, Medicinal uses of indole piperazine derivatives, patent authorization number: ZL 2013 1 0051843.X

6. Fu Wei ; Du Peng, Zhen Xuechu, preparation method and application of benzazepine compounds, patent authorization number: ZL 2013 1 0071010.X

7. Fu Wei ; Liu Jinggen; Shen Qing; Li Wei; Xu Xuejun, Aminomethylpiperidine derivatives and their preparation methods and medicinal uses, patent authorization number: ZL 2014 1 0625627.6, publication number: CN105646332

8. Fu Wei ; Shen Qing; Li Wei; Liu Jinggen; Xu Xuejun, 6-Aminomethylpiperidine derivatives and their preparation methods and medicinal uses, patent authorization number: ZL 2014 1 0182104.9, publication number: CN105017037

representative works

1. Xinyi Li, Li Xie, Xiangli Qu, Bangyi Zhao, Wei Fu* , Beili Wu*, Jian Wu*, GPR91, a critical signaling mechanism in modulating pathophysiologic processes in chronic illnesses The FASEB Journal. 2020;34:13091–13105 .

2.Huoming Huang, Wenli Wang, Xuejun Xu, Chen Zhu, Yujun Wang, Jinggen Liu, Wei Li, Wei Fu* . Discovery of 3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)- N-phenylpiperidine-1-carboxamide as novel potent analgesic. European Journal of Medicinal Chemistry, 2020, 189: 112070.

3. Wenli Wang#, Lan Zheng#, Wei Li, Chen Zhu, Weiqing Peng, Bing Han,* and Wei Fu* . Design, Synthesis, and Structure–Activity Relationship Studies of Novel Indolyalkylpiperazine Derivatives as Selective 5-HT1A Receptor Agonists. Journal of Chemical Information and Modeling, 2020, 60(1): 235-248.

4. Nannan Sun#, Xiaojun Ma#, Kaifeng Zhou#, Chen Zhu, Zhonglian Cao, Yonghui Wang, Jun Xu*, Wei Fu* . Discovery of novel N-sulfonamide-tetrahydroquinolines as potent retinal acid receptor-related orphan receptor γt inverse agonists for the treatment of autoimmune diseases[J]. European Journal of Medicinal Chemistry, 2020, 187: 111984.

5. Chen Zhu, Xinwei Li, Bangyi Zhao, Weiqing Peng, Wei Li, Wei Fu* .Discovery of aryl-piperidine derivatives as potential antipsychotic agents using molecular hybridization strategy[J]. European Journal of Medicinal Chemistry, 2021, 1214: .

6.Bangyi Zhao , Wei Li , Lijie Sun, Wei Fu*,The Use of Computational Approaches in the Discovery and Mechanism Study of Opioid Analgesics, Froteria in Chemistry, 2020, 8, 335

7. Xinyi Li, Li Xie, Xiangli Qu, Bangyi Zhao, Wei Fu* , Beili Wu*, Jian Wu*, GPR91, a Critical Signaling Mechanism in Modulating Pathophysiologic Processes in Chronic Illnesses, The FASEB Journal, 2020, in press

8. Chen Lili, Ge Guangbo, Rong Yan, Fu Wei , Chen Hongzhuan, etc. Application and research progress of traditional Chinese medicine in the prevention and treatment of new coronary pneumonia [J]. Journal of Shanghai University of Traditional Chinese Medicine, 2020, 34(3): 1-8.

9.Li Xiao, Yujun Wang, Mumei Zhang, Weiwei Wu, Linghui Kong, Yan Ma, Xuejun Xu, Xiao Liu, Qian He, Yuanyuan Qian, Huijiao Sun, Haihao Wu, Cheng Lin, Huoming Huang, Rongrong Ye, Shuang Jiang, Ru-Feng Ye, Congmin Yuan, Shengyang Fang, Dengqi Xue, Xicheng Yang, Hao Chen, Yilin Zheng, Linqian Yu, Qiong Xie, Lan Zheng, Wei Fu , Wei Li*, Zhuibai Qiu, Jinggen Liu*, Liming Shao*. Discovery of a Highly Selective and Potent κ Opioid Receptor Agonist from N?Cyclopropylmethyl-7α-phenyl-6,14endoethanotetrahydronorthebaines with Reduced Central Nervous System (CNS) Side E?ects Navigated by the Message-Address Concept. J. Med. Chem. 2019 , 62, 11054?11070.

10. Shuai Gao*,et al. W ei Fu , Wei Lu*, Albumin tailoring fluorescence and photothermal conversion effect of near-infrared-II fluorophore for image-guided cancer photothermal therapy, Nature Communications, 2019,10,2206

11.Jiaojiao Xu, ... Wei Fu , Zeyu Xiao, Wei Lu* et al. , High Affinity of Chlorin e6 to Immunoglobulin G for Intraoperative Fluorescence Image-Guided Cancer Photodynamic and Checkpoint Blockade Therapy, ACS Nano, 2019, 13, 10242

12. Cheng Liu#, Congmin Yuan#, Pinwen Wu#, Chen Zhu, Hao Fang, Lili Wang, Wei Fu* . Computational investigation on the binding modes of Rimonabant analogs with CB1 and CB2. Chem Biol Drug Des, 2018, 92, 1699-1707.

13. Hui-jiao Sun, Yu-hua Wang, Cong-min Yuan, Ling-hui Kong, Xue-jun Xu, Yu-jun Wang, Hai-hao Wu, Cheng Lin, Yuan-yuan Qian, Huo-ming Huang, Li Xiao, Xiao Liu, Qian He, Sheng-yang Fang, Deng-qi Xue, Xi-cheng Yang, Hao Chen, Yi-lin Zheng, Lan Zheng, Lin-qian Yu, Qiong Xie, Wei Fu , Wei Li*, Jing-gen Liu*, Zhui-bai Qiu, Li-ming Shao*. 7β-Methyl substitutent is a structural locus associated with activity cli? for nepenthone analogues. Bioorganic & Medicinal Chemistry, 2018, 26, 4254–4263.

14. Congming Yuan#, Haihong Chen#, Nannan Sun#, Xiaojun Ma, Jun Xu and Wei Fu* . Molecular dynamics simulations on RORgammat: insights into its functional agonism and inverse agonism. Acta Pharmacol Sin, 2019, 40(11): 1480-1489.

15. Weili, et al. Wei Fu* , The Pharmacological Heterogeneity of Nepenthone Analogs in Conferring Highly Selective and Potent delta-Opioid Agonistic Activities, ACS Chem. Neurosci., 2017, 8(4), 766-776.

16. Peng Lian, Congmin Yuan, Qin Xu, Wei Fu* , Thermostability Mechanism for the Hyperthermophilicity of Extremophile Cellulase TmCel12A: Implied from Molecular Dynamics Simulation, J. Phys. Chem. B, 2016, 120, 7346

17. Jingye Zhang, Zining Liu, Peng Lian, Jun Qian, Xinwei Li, Lu Wang, Wei Fu ,Liang Chen, Xunbin Wei*, Cong Li*. Selective imaging and cancer cell death via pH switchable near-infrared fluorescence and photothermal effects . Chem. Sci., 2016, 7, 5995–6005.

18. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li*, Jinggen Liu*, Wei Fu* , Discovery of Potent and Selective δ OpioidAgonists Derived from Tramadol, ACS Med. Chem. Letter, 2016, 7 (4): 391– 396

19. Wei Li, Li Zhang Lili Xu, Congmin Yuan, Peng Du, Jiaojiao Chen, Xuechu Zhen, Wei Fu* , Functional reversal of (-)-Stepholidine analogues by replacement of benzazepine substructure using the ring-expansion strategy, Chem. .& Drug Design, 2016, 88, 599

20.Peng Ji, Congmin Yuan, Shuhua Ma, Junchao Fan, Wei Fu* , Chunhua Qiao*, 4-Carbonyl-2,6-dibenzylidenecyclohexanone derivatives as small molecule inhibitors of STAT3 signaling pathway , Bioor. Med. Chem. 24 (2016 ) 6174–6182

21. Zhao Yuan, Fu Wei , Yu Zhengtian, 'Conformational Preferences of π-π Stacking Between Ligand and Protein, Analysis Derived from Crystal Structure Data Geometric Preference of π-π Interaction.', in Interdiscip Sci. (2015) 7(3 ): 211-20

22. Xiaoli Wei, Changyou Zhan, Qing Shen, Wei Fu , Cao Xie, Jie Gao, Chunmei Peng, Ping Zheng, and Weiyue Lu, D-Peptide Ligand of Nicotine Acetylcholine Receptors for Brain-Targeted Drug Delivery, Angew Chem. Int . Ed. 2015, 54: 3023-3027

23.Peng Lian, LinLang Li, Chuanrong Geng, Xuechu Zhen, Wei Fu* , Novel potent 5-HT1AR agonists discovery based on a dynamical binding mode strategy, J. Chem. Info. Modeling, 2015, 55(8): 1616- 1627

24. Xinxian Deng, Lin Guo, Lili Xu, Xuechu Zhen, Kunqian Yu, Weili Zhao, Wei Fu* , Discovery of Novel Potent and Selective Ligands for 5-HT2A Receptor with Quinazoline Scaffold, 2015, Bioorganic & Medicinal Chemistry Letters, 2015, 25 (18): 3970-3974

25. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li*, Jinggen Liu*, Wei Fu* , Discovery of Potent and Selectiveδ Opioid Agonists Derived from Tramadol, 2015, ACS Med. Chem. Letter, 2015, in press

26. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li,*, Jinggen Liu,*, Wei Fu* , Design, synthesis and biological evaluation of N-phenylalkyl-substituted tramadol derivatives as novel μ opioid receptor ligands, Acta Pharmacologica Sinica, 2015, 36: 887-894

27.Peng Lian, Lili Xu1, Chuanrong Geng1, Yuanyuan Qian1, Wei Li*, Xuechu Zhen* and Wei Fu* , A Computational Perspective on Drug Discovery and Signal Transduction Mechanism of Dopamine and Serotonin Receptors in the Treatment of Schizophrenia. , Curr. Pharm. Biotech., 2014, 15, 916-926

28. Lili Xu, Shanglin Zhou, Kunqian Yu, Bo Gao,Hualiang Jiang,*Xuechu Zhen,* Wei Fu* ,Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening , J. Chem. Info. Modeling, 2013, 53, 3202?3211

29. Zijun Xiong, Lili Xu, Lin Guo, Xuechu Zhen*, Wei Fu* , Synthesis, Preliminary Pharmacological Evaluation and Receptor Docking Studies Of 10-Amino-3-Methoxy-6,8,12,12a-Tetrahydro-5HThiazolo[4 ',5':4,5]Pyrido[2,1-A]Isoquinolin-2-Ols As Novel Dopamine D1 Receptor Inhibitors, VRI Biol. Med. Chem, 2013, 1, 38-50

30. Bian Li, Lili Xu, Qing Shen, Xianfeng Gu*, Wei Fu* , Discovery of Novel Small Molecule Src Kinase Inhibitors via a Kinase-focused Drug-likeness Rule and Structure-based Virtual Screening, Molecular Simulation, 2014, 40, 341-348

31. Bei-Bei Tao, Shu-Yuan Liu, Cai-Cai Zhang, Wei Fu , Wen-Jie Cai, Yi Wang, Qing Shen, Ming-Jie Wang, Ying Chen, Li-Jia Zhang, Yi-Zhun Zhu, and Yi-Chun Zhu*, VEGFR2 Functions As an H2S-Targeting Receptor Protein Kinase with Its Novel Cys1045–Cys1024 Disulfide Bond Serving As a Specific Molecular Switch for Hydrogen Sulfide Actions in Vascular Endothelial Cells, Antioxidants Redox Signaling7, 13131249, 2 (IF: 8.5)

32. Yunguo Gong, Wei Fu* , Kaixian Chen*, Dopamine D1 receptor and serotonin 5-HT1A receptor agonist effects of the natural product (–)-stepholidine: molecular modeling and dynamics simulations, Molecular Simulation, 2012, 38(12), 970-979

33. Du Peng, Lili Xu, Jiye Huang, Kunqian Yu, Rui Zhao, Bo Gao, Hualiang Jiang, Weili Zhao, Xuechu Zhen*, Wei Fu*,Design, Synthesis and Evaluation of Indolebutylamines as a Novel Class of Selective Dopamine D3 Receptor Ligands , Chem Biol. Drug Design, 2013, 82, 326-335

34. Wei Li, Li-li Xu, Qiong Xie, Yan Chen, Mei-yan Lu, Bo Chao, Xing-hai Wang, Yun Tang, Zhui-bai Qiu, Wei Fu* , Choiwan Lau*, “Theoretical and NMR Investigations on the Conformations of (-)-Meptazinol Hydrochloride in Solution”, Molecular Simulation, 2013, 1-5

35. Bian Li; Wei Li; Peng Du; Kunqian Yu; Wei Fu* , Molecular Insights into the D1R Agonist and D2R/D3R Antagonist Effects of the Natural Product (-)-Stepholidine: Molecular Modeling and Dynamics Simulations, J. Phys. Chem. B, 2012, 116, 8121-8130

36.Changyou Zhan, Bian Li, Luojuan Hu, Xiaoli Wei, LinyinFeng, Wei Fu* , Weiyue Lu* ,Micelle-Based Brain-Targeted Drug Delivery Enabled by a Nicotine Acetylcholine Receptor Ligand, Angew. Chem. Int. Ed. 2011, 50, 5482-5485 (hot paper, highlight by Science Business Exchange, IF: 12.73)

37. Huifang Liu, Jian Chen, Qing Shen, Wei Fu* and Wei Wu, Molecular Insights on the Cyclic Peptide Nanotube-Mediated Transportation of Antitumor Drug 5-Fluorouracil, Molecular Pharmaceuticals, 2010, 7 ( 6), 1985–1994 (SCI , IF: 5.4)

38.Liu Hui-fang, Shen Qing, Zhang Jian, FuWei? , Evaluation of various inverse docking schemes in multiple targets identification, J Mol Graph Model. 2010,29 , 326–330(SCI, IF: 2.2)

39. Wei Fu , JianhuaShen, XiaominLuo, Weiliang Zhu, Jiagao Cheng, Kaixian Chen, Guozhang Jin and Hualiang Jiang, Dopamine D1 Receptor Agonist and D2 Receptor Antagonist Dual Effects of Natural Product (-)-Stepholidine (SPD): Molecular Modeling and Dynamics Simulations, Biophys. J. 2007, 93: 1431-1441 (SCI, IF: 4.6)

40. Wei Fu , Meng Cui, James M. Briggs, Xiaoqin Huang, Bing Xiong, Yingmin Zhang, XiaominLuo, JianhuaShen, RuyunJi, Hualiang Jiang, Kaixian Chen, Brownian Dynamics Simulations of the Recognition of the Scorpion Toxin Maurotoxin with the Voltage-gated Potassium Ion Channels, Biophys. J., 2002, 83 (5), 2370(SCI,IF: 4.6)

41.Kunqin Yu, Wei Fu , Hong Liu, Xiaomin Luo, Kaixian Chen, Jian Ding, Jianhua Shen, Hualiang Jian, Computational simulations of interactions of scorpion toxins with the voltage-gated potassium ion channel. Biophys J. 2004 Jun;86( 6): 3542-55. (IF: 4.6)

42. Du Lin, Fu Wei (co-first author), Li De-Hai, PanQiu-Ming, Zhu Tian-Jiao, Geng Mei-Yu, Gu, Qian-Qun, Unprecedented Citrinin Trimer Tricitinol B Functions as a Novel Topoisomerase IIα Inhibitor, J. Med. Chem., 2011, 54, 5796-5810, (co-first author, IF: 5.207 )

43. Xinxian Deng, Qing Shen, Lili Xu, Zijun Xiong, Weili Zhao, Xuechu Zhen, Wei Fu* , Discovery of a Novel Dopamine D3 Receptor Inhibitor, Chem. J. Chinese Univ. 2011, 32(8): 1783-1788 (SCI)

44. Zijun Xiong, Peng Du, Bian Li, Lili Xu, Xuechu Zhen, Wei Fu* , Discovery of a Novel 5-HT2A Antagonist by Pharmacophore-Based Virtual Screening. Chemical Research in Chinese Universities, 2011, 27(4), 655 -660 (SCI)

45. SHEN Qing, LIU Hui-fang, LI Wei, FU Wei* , Modulated interaction of μ/δ opioid receptors and the drug discovery and design strategy, Chinese Pharmacological Bulletin, 2010, 26: 4-8

46. LIU Hui-Fang, FU Wei* , JIN Guozhang, Action mechanism of atypical antipsychotics and vista of drug discovery, Chinese Journal of Pharmacology and Toxicology, 2008, 22,(6):470-476

47. Wei Li , Yi-Min Tao, Yun Tang, Xue-Jun Xu, Jie Chen, Wei Fu, Xing-Hai Wang, Bo Chao, Wei Sheng, Qiong Xie, Zhui-Bai Qiu,*, Jing-Gen Liu, Highly selective and potent mu opioid ligands by unexpected substitute on morphine skeleton, BMCL, 2010, 20: 418–421

48. Yaxue Zha, Xuefeng Lu, Chao-yie Yang, Zhimin Huang, Wei Fu , Tingjun Hou, and Jian Zhang, Computational Modeling Toward Understanding Agonist Binding on Dopamine 3, J. Chem. Inf. Model. 2010, 50, 1633– 1643

49. Aviv Paz, Qiong Xie, Harry M. Greenblatt, Wei Fu , Yun Tang, Israel Silman, Zhuibai Qiu, and Joel L. Sussman, The Crystal Structure of a Complex of Acetylcholinesterase with a Bis-(#)-nor-meptazinol Derivative Reveals Disruption of the Catalytic Triad, J. Med. Chem., 2009, 52 (8), 2543-2549

50.Q. Xie, H. Wang, Z. Xia, M. Lu, W. Zhang, X. Wang, W. Fu , Y. Tang, W. Sheng, W. Li, W. Zhou, X. Zhu, Z. Qiu and H. Chen, J. Med. Chem.51 (2008), p. 2027

51. Xiaoqin Huang, Hong Liu, Meng Cui, Wei Fu , Kunqian Yu, Kaixian Chen, XiaominLuo, JianhuaShen and Hualiang Jiang, Simulating the Interactions of Toxins with K+ Channels Current Pharmaceutical Design, 2004, 10, 1057-1067

52. Meng Cui, JianhuaShenJ, James Briggs, Wei Fu , Hualiang Jiang, Chen K. Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels. J Mol Biol. 2002, 318(2 ):417-28

53. Wei Fu , Ji-Kang Feng, Ge-Bo Pan, Xiang Zhang, Ai-Min Ren, Calculations on the Electronic Structures and Nonlinear Second-order Optical Susceptibilities of Spiroannelated Quinone-type Methanofullerenes, Theoretical Chemistry Accounts, 2001, 106, 241-250

54. Wei Fu , Ji-Kang Feng, Calculations on the Electronic Structure and Nonlinear Second-order Susceptibilities of Fulleropyrrolidine/Tetrathiafulvalene(C60PY/TTF) Based on Donor-Bridge-Acceptor Dyads, Can. J. Chem, 2001, 79, 1366 -1375

55. Wei Fu , Ji-Kang Feng, Ge-Bo Pan, Ai-Min Ren , “Theoretical study on the third-order nonlinear optical properties of a serials of derived 9,9'-spiro-bifluorenes”, Journal of Molecular Structure (Theochem), 2001, 545, 157-165

56. Wei Fu , JiKangFeng, AiMinRen, Yao-Xian Li, “Nonlinearity Enhancement by Proton Transfer: A new Strategy for the Design of Nonlinear Optical Materials. ACTA CHIMICA SINCA, 2001, 22(11): 1869-1872 (in Chinese) .

57. Wei Fu , JiKangFeng, KunQian Yu, AiMinRen, ChiaChung Sun, “Theoretical studies of molecules with NLO properties on push-pull multi-cycle electro-optical polymer intermediates including thiophene ring” Chinese Journal of Chemistry, 2000, 18, 820

58. Wei Fu , FENGJi-Kang, Yu Kun-Qian, REN Ai-Min, CUI Meng, LI Yao-Xian, SUN Chia-Chung “Theoretical study on second-order nonlinear optical properties of unsymmetricbis(phenylethynyl)benzene series derivatives” ,Chinese Journal of Chemistry, 2000,18,No.2, 175-181.

59. Wei Fu , JiKangFeng, AiMinRen, ChiaChung Sun, “Theoretical Study on The Device of Molecules with First Hyperpolarizability on a Serials of Babituric Acid and its Derivatives, Chinese Journal of Chemistry, 2000, 21, 1892-1895

60. FENG Ji-Kang, Wei Fu , CUI Meng, SU Zong-Min, REN Ai-Min, “Calculations on the Electronic Structure and Nonlinear Second-order Susceptibility of Fullerene/Ferrocene Based Donor-Bridge-Acceptor Dyads”, ACTA CHIMICA SINCA, 2000, 58, 1112-1119. (in chinese)

61. Wei Fu , FENG Ji-Kang, REN Ai-Min , CUI Meng , JIN Hong-Wei, WANG Jiang-Hong, SHEN Yu-Quan, “Theoretical studies of molecules with nonlinear optical third-order susceptibilities on pull-push multi -cycle electro-optical polymer intermediates including thiophene-ring” Chemical journal of Chinese universities, 2000,21(5),771-775

62. Wei Fu , FENG Ji-Kang, REN Ai-Min, SUN Xiu-Yun, JIN Hong-Wei, “Theoretical Study on Second-order Nonlinear Optical Properties of a Serial of Novel Push-pull Polycyclic Conjugated Molecules” Chemical journal of Chinese universities, 2000, 21(4), 616-619

63. Wei Fu , FENG Ji-Kang, REN Ai-Min, CUI Meng, SUN Xiu-Yun, LI Yao-Xian, “A Theoretical Study on Nonlinear Second-order Optical Properties of p-Nitro bis(phenylethyl) benzene series derivatives ” Chemical journal of Chinese universities, 1999, 20(9), 1424-1428.

64. Wei Fu , FENG Ji-Kang, REN Ai-Min, CUI Meng, SUN Xiu-Yun, LI Yao-Xian, “A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of UnsymmetricBis(phenylethynyl) benzenes Series Derivatives” ACTA CHIMICA SINCA, 1999,57,1075-1080. (in Chinese)

65. Wei Fu , FENG Ji-Kang, REN Ai-Min, SUN Xiu-Yun, JIN Hong-Wei, WANG Jiang-Hong , SHEN Yu-Quan, “Theoretical studies with nonlinear optical third-order susceptibilities and design of molecules on some organic NLO materials” Chinese J. Struct. Chem. 2000,19(1)57-64

66. Li Yao-Xian, Liu Fu-An, Wei Fu , et al. “Synthesis N-C60 aniline by using micro irradtation” J. Mol. Science, 1995, 11(3), 4. (in Chinese)

67. Wei Fu , JikangFeng and Gebo Pan “Nonlinearity Enhancement by proton transfer: A new strategy for the design of nolinear optical materials, Chemical journal of Chinese universities, 2001, 22(11), 1869-1872 (in Chinese)

68. Jianjun Liu, JikangFeng, Wei Fu , AiminRen, Guixia Liu, Potential energy Surface of 1CH2+N2O Reaction, Acta Phys. Chim, Sin., 2001, 17(7): 586-593 (in chinese)