姓 名： 李金宇
性 别： 男
职 称： 教授（博士生导师）

学 历： 博士
职 务：

电 话：
专 业： 物理化学
电子邮件： j.li@fzu.edu.cn
研究方向： 计算化学生物学与药物化学

最新：本课题组与德国于利希研究中心、英国爱丁堡大学、意大利博洛尼亚大学和卡利亚里大学联合申请的“2020年中德博士后交流项目”正在寻找合适的候选人，有兴趣的往届/应届（需保证2020年9月前获得学位，35周岁以下）博士请于2020年4月10日前发送简历（包括教育背景和学术成果等）到j.li@fzu.edu.cn。

项目题目：Molecular Synaptosome of Autistic Spectrum Disorder；
研究方向：计算生物物理、结构生物信息学、人工智能、分子模拟、药物虚拟筛选等；
工作地点：德国于利希研究中心；
工作期限：2年；
工资待遇：30万元人民币+1500欧元/月
详细介绍及要求，请参见PDF文档，提取码8xvs


教育工作经历
2016.03-至今 福州大学化学学院 教授

生物药光动力治疗技术国地联合工程研究中心

2015.09-2015.12 德国亚琛工业大学医学院 博士后
2015.01-2015.09 德国于利希研究中心 博士后
2011.08-2015.02 德国亚琛工业大学医学院 计算生物博士
2010.08-2011.07 荷兰阿姆斯特丹大学 化学硕士

法国里昂高等师范学院 材料科学硕士
2007.09-2010.07 南京工业大学 化学工程硕士
2003.09-2007.07 南京工业大学 环境科学学士


教学简介
《普通化学》


科研简介





社会兼职
中国抗癌协会肿瘤光动力治疗专业委员会第一届青年委员



科研项目
闽江********科研启动项目（526258），2016.04-2019.03 ，项目负责人
国家自然科学基金青年项目（**），2017.01-2019.12，项目负责人
固体表面物理化学国家重点实验室开放课题（201712），2018.01-2019.12，项目负责人
福建省自然科学基金****项目（2019J06007），2019.06-2022.05，项目负责人
国家重点研发计划（2017YFE**），2018.01-2020.12，研究骨干




代表性论文
37. H. Lin, D. Zhang, K. Zuo, C. Yuan,J. Li*, M. Huang*, Z. Lin*.Structural basis of sequence-specific Holliday junction cleavage by MOC1.Nature Chemical Biology,2019, 15, 1241.
36. K. Zuo, Y. Qi, C. Yuan, L. Jiang, P. Xu*, J. Hu*,M. Huang*,J. Li*.Specifically targeting cancer proliferation and metastasis processes: The development of matriptase inhibitors.Cancer and Metastasis Reviews,2019, 38, 507.
35. L. Wang, H. Liang, J. Sun, Y. Liu,J. Li, J. Li, J. Li*, H. Yang*.Bispecific aptamer induced artificial protein-paring: A strategy for selevtive inhibition of receptor function.Journal of the American Chemical Society,2019, 141, 12673.
34. X. Xie, N. Guo, G. Xue, D. Xie, C. Yuan, J. Harrison, J. Li, L. Jiang*, M. Huang. Solution structure of SpolVB reveals mechanism of PDZ domain-regulated protease activity. Frontiers in Microbiology, 2019, 10, 1232.
33. M. Liu, L. Lin, G. Hoyer-Hansen, M. Ploug, H. Li, L. Jiang, C. Yuan*, J. Li*, M. Huang*. Crystal structure of unoccupied murine uPAR revealed a tightly packed DII-DIII unit.FEBS Letter,2019, 593, 1236.
32. L. Jiang, X. Xie, J. Li, E. Persson*, M. Huang*. Crystal structure, epitope and functional impact of an antibody against a super-active FVIIa provide insights into allosteric mechanism. Research and Practice in Thrombosis & Haemostasis, 2019, 3, 412.
31. L. Liu, X. Dong, Y. Liu, N. Osterlund, A. Graslund, P. Carloni*, J. Li*. Role of hydrophobic residues for the gaseous formation of helical motifs.Chemical Communications,2019, 55, 5147.
30. J. Zhou, L. Sun, L. Wang, Y. Liu, J. Li, J. Li, J. Li*, H. Yang*.Self-assembled and size-controllable oligonucleotides nanospheres for effective antisense gene delivery via endocytosis-independent pathway.Angewandte Chemie International Edition,2019, 58, 5236.
29. D. Wang, Y. Yang, L. Jiang, Y. Wang,J. Li, P.A. Andreasen, Z. Chen, M. Huang*, P. Xu*.Suppression of tumor Growth and Metastases by targeted intervention in urokinase activity with cyclic peptides.Journal of Medicinal Chemistry,2019, 62, 2172.
28. X. Zhao, Y. Huang, G. Yuan, K. Zuo, Y. Huang, J. Chen, J. Li*, J. Xue*.A novel tumor and mitochondria dual-targeted photosensitizer showing ultra-efficient photodynamic anticancer activities.Chemical Communications,2019, 55, 866.
27. S. Peng, G. Xue, S. Chen, Z. Chen, C Yuan, J. Li, M. Huang*.tPA point mutation at autolysis loop enhances resistance to PAI-1 inhibition and catalytic activity.Thrombosis and Haemostasis, 2019, 119, 77.
26. Y. Liu, D. Xie, M. Song, L. Jiang, G. Fu, L. Liu*, J. Li*.Water desalination across multilayer graphitic carbon nitride membrane: Insights from non-equilibrium molecular dynamics simulations.Carbon,2018, 140, 131.
25.M. Xu, Y. Chen, P. Xu, P.A. Andreasen, L. Jiang*, J. Li*, M. Huang*.Crystal Structure of Plasma Kallikrein Provides Insights into the Unusual Flexibility of the S1 Pocket Triggered by Glu217. FEBS Letter, 2018, 592, 2658.
24.M. Bütepage, S. Krieg, L. Eckei,J. Li, G. Rossetti, P. Verheugd, B. Lüscher.Assessment of Intracellular Auto-Modification Levels of ARTD10 Using Mono-ADP-Ribose-Specific Macrodomains 2 and 3 of Murine Artd8.Methods in Molecular Biology, 2018, 1813, 41.
23.L. Jiang*, X. Zhang, Y. Zhou, Y. Chen, Z. Luo, J. Li, C. Yuan, M. Huang*.Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases.RSC Advances,2018, 8, 28189.
22. Y. Chen, J. Liu, M. Song, L. Jiang, L. Liu, Y. Liu, G. Fu, J. Xue, J. Liu*, M. Huang*, J. Li*. Insights into the binding mechanism of BODIPY-based photosensitizers to human serum albumin: A combined experimental and computational study. Spectrochimica Acta Part A, 2018, 203, 158.
21. X. Wang, G. Xue, M. Song, P. Xu, D. Chen, C. Yuan, L. Lin, R. Flaumenhaft, J. Li*, M. Huang*. Molecular basis of rutin inhibition of protein disulfide isomerase (PDI) by combined in silico and experimental methods.RSC Advances,2018, 8, 18480.
20.M. Bütepage, C. Preisinger, A. Kriegsheim, A. Scheufen,E. Lausberg, J. Li, F. Kappes, R. Feederle, S. Ernst,L. Eckei, S. Krieg, G. Müller-Newen, G. Rossetti, K. L. H. Feijs,P. Verheugd, B. Lüscher. Nucleolar-nucleoplasmic shuttlingof TARG1 and its control by DNAdamage-induced poly-ADPribosylationand by nucleolartranscription.Scientific Reports,2018, 8, 6748.
19.Y. Jia,J. Li*, J. Chen, P. Hu, L. Jiang, X. Chen, M. Huang, Z. Chen*, P. Xu*. Smart Photosensitizer: Tumor-Triggered Oncotherapy by Self-Assembly Photodynamic Nanodots. ACS Applied Materials & Interfaces,2018, 10, 15369.
18.Y. Huang, Y. Liu, Y. Chen, M. Song, M. Huang, J. Xue, L. Liu*,J. Li*. Probing the interactions of phthalocyanine-based photosensitizers with model phospholipid bilayer by molecular dynamics simulations.Journal of Porphyrins and Phthalocyanines,2018, 22, 1. (Invited and dedicated to Prof. Naisheng Chen on the occasion of his 80th birthday)
17. J. Li,P. Fleurat-Lessard, F.Zaera, F. Delbecq.Switch in Relative Stability between cis and trans 2?Butene onPt(111) as a Function of Experimental Conditions: A DensityFunctional Theory Study. ACS Catalysis, 2018, 8, 3067.
16. J. Li, W. Lyu, G.Rossetti, A. Konijnenberg, A. Natalello, E. Ippolitti, M. Orozco, R. Grandori, P. Carloni. Proton dynamics in protein mass spectrometry. Journal of Physical Chemistry Letter, 2017, 8, 1105.
15. J. Li, J. Vervoorts-Weber, P. Carloni, G. Rossetti, B. Lüscher. Structural prediction of the interaction of the tumor suppressor p27KIP1 with cyclin A/CDK2 identifies a novel catalytically relevant determinant. BMC Bioinformatics, 2017, 18, 15.
14. J. Chen, H. Ye, M. Zhang, J. Li, J, Liu, J. Xue. Erlotinib Analogue‐substituted Zinc(II) Phthalocyanines for Small Molecular Target‐based Photodynamic Cancer Therapy. Chinese Journal of Chemistry, 2016, 34, 10.
13. D. Fahrenkamp#, J. Li#, S. Ernst, H. Schmitz-Van de Leur, N. Chatain, A. Kuster, S. Koschmieder, B. Lüscher, G. Rossetti, G. Muller-Newen. Intramolecular hydrophobic interactions are critical mediators of STAT5 dimerization. Scientific Reports, 2016, 6, 35454. (#contributed equally)
12. J. Li, C. Santambrogio, S. Brocca, G. Rossetti, P. Carloni, R. Grandori. Conformational effects in protein electrospray-ionization mass spectrometry. Mass Spectrometry Reviews, 2016, 35, 111.
11. J. Li, L. Jiang, X. Zhu. Computational studies of the binding mechanisms of fullerenes to human serum albumin. Journal of Molecular Modeling, 2015, 21, 2728.
10. J. Li, F. Flick, P. Carloni, B. Lüscher, G. Rossetti. Insight into the mechanism of intramolecular inhibition of the catalytic activity of sirtuin 2. PLoS ONE, 2015, 10, e**.
9. A. D’Urzo, A. Konijnenberg, G. Rossetti, J. Habchi, J. Li, P. Carloni, F. Sobott, S. Longhi, R. Grandori. Molecular basis for structural heterogeneity of an intrinsically disordered protein bound to a partner by combined ESI-IM-MS and modeling. Journal of the American Society for Mass Spectrometry, 2015, 26, 472.
8. J. Li, G. Rossetti, J. Dreyer, S. Raugei, E. Ippoliti, B. Lüscher, P. Carloni. Molecular simulation-based structural prediction of protein complexes in mass spectrometry: The human insulin dimer. PLoS Computational Biology, 2014, 10, e**.
7. J. Li, P. Fleurat-Lessard, F. Zaera, F. Delbecq. Mechanistic investigation of the cis/trans isomerization of 2-butene on Pt(111): DFT study of the influence of the hydrogen coverage. Journal of Catalysis, 2014, 311, 190.
6. R. Shi, J. Li, X. Cao, X. Zhu, X. Lu. Exploration of the binding of proton pump inhibitors to human P450 2C9 based on docking and molecular dynamics simulation, Journal of Molecular Modeling, 2011,17, 1941.
5. J. Li, X. Zhu, C. Yang, R. Shi. Exploration of the binding of benzimidazole-biphenyl derivatives to hemoglobin using docking and molecular dynamics simulation, International Journal of Biological Macromolecules, 2011, 48, 20.
4. C. Yang, X. Zhu, J. Li, R. Shi. Exploration of the mechanism for LPFFD inhibiting the formation of β-sheet conformation of Aβ(1-42) in water, Journal of Molecular Modeling, 2010, 16, 813.
3. J. Li, X. Zhu, C. Yang, R. Shi. Characterization of the binding of angiotensin II receptor blockers to human serum albumin using docking and molecular dynamics simulation, Journal of Molecular Modeling, 2010, 16, 789.
2. C. Yang, X. Zhu, J. Li, K. Chen. Molecular dynamics simulation study on conformational behavior of Aβ(1–40) and Aβ(1–42) in water and methanol, Journal of Molecular Structure: THEOCHEM, 2009, 907, 51.
1. C. Yang, J. Li, Y. Li, X. Zhu. The effect of solvents on the conformations of Amyloid β-peptide (1–42) studied by molecular dynamics simulation, Journal of Molecular Structure: THEOCHEM, 2009, 895, 1.




获奖情况
2010 欧盟委员会伊拉斯莫斯奖学金
2015 福州大学旗山****
2015 福建省闽江********





课题组成员


博士后：柳林，赵倩倩（德国于利希研究中心联合培养，入选2018中德博士后交流项目）
博士生：宋美如（17级），刘以畅（18级）
硕士生：谢道情（16级），董昕（17级），齐迎迎（17级），黄宇超（17级），傅薇（18级），程子微（18级），刘格（18级）
本科生：黄晓琳（15级），郑明文（16级），郭楠欣（17级）
研究助理：左柯




课题组计算设备


其他
课题组与德国于利希研究中心计算生物医药实验室长期合作，联合培养博士生与博士后，并支持优秀的硕士生、博士生和博士后赴德交流学习，欢迎有志从事计算化学生物学与药物化学研究的同学与我们联系。