裴劍鋒

裴劍鋒，男，北京大學定量生物學中心特聘研究員。

2002年於中國科學院過程工程研究所獲得博士學位。

研究方向：藥物分子設計。

研究興趣：基於靶標的藥物分子對接方法、全新藥物設計方法，多靶標藥物設計方法，小分子對生物網路調控作用研究，先導化合物最佳化方法，藥物發現套用研究

基本介紹

  • 中文名：裴劍鋒
  • 國籍：中國
  • 學歷：博士
  • 職務：北京大學定量生物學中心特聘研究員
  • 成就：博士生導師
個人履歷,研究興趣,工作經歷,代表性文章,

個人履歷

1995年7月本科畢業於武漢大學生命科學學院；
1998年7月於中國科學院武漢病毒研究所獲得碩士學位；
2002年7月於中國科學院過程工程研究所獲得博士學位。

研究興趣

基於靶標的藥物分子設計、多靶標藥物設計，小分子對生物網路調控作用，人工智慧藥物研發。

工作經歷

2002年10月至2006年8月在北京大學物理化學研究所和理論生物學中心做博士後研究；
2005年10月至2006年7月在美國紐約州立大學布法羅分校醫學院做訪問研究；2006年9月起在北京大學前沿交叉學科研究院任職。

代表性文章

  1. Xu, Y.; Wang, S.; Hu, Q.; Gao, S.; Ma, X.; Zhang, W.; Shen, Y.; Chen, F.; Lai, L.*; Pei, J.*, CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction. Nucleic acids research 2018, gkx380.
  2. Feng, F.; Lai L.; Pei, J.*, Computational chemical synthesis analysis and pathway design, Frontiers in Chemistry 2018
  3. li, X.; Xu, Y.; Lai L.; Pei, J.*, Prediction of human cytochrome P450 inhibition using a multi-task deep autoencoder neural network . Molecular Pharmaceutics, 2018
  4. Zhang, W.; Pei, J.*; Lai, L.*, Computational multitarget drug design. Journal of chemical information and modeling 2017, 57 (3), 403-412.
  5. Xu, Y.; Pei, J.*; Lai, L.*, Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. Journal of chemical information and modeling 2017, 57 (11), 2672-2685.
  6. Wang, X.; Shen, Y.; Wang, S.; Li, S.; Zhang, W.; Liu, X.; Lai, L.; Pei, J.*; Li, H.*, PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic acids research 2017, gkx374.
  7. Sun, T.; Zhou, B.; Lai, L.; Pei, J.*, Sequence-based prediction of protein protein interaction using a deep-learning algorithm. BMC Bioinformatics 2017, 18 (1), 277.
  8. Gu, S.; Pei, J.*, Innovating Chinese Herbal Medicine: From Traditional Health Practice to Scientific Drug Discovery. Frontiers in pharmacology 2017, 8, 381.
  9. Li, T.; Yin, N.; Liu, H.; Pei, J.*; Lai, L., Novel inhibitors of toxin HipA reduce multidrug tolerant persisters. ACS medicinal chemistry letters 2016, 7 (5), 449-453.
  10. Zhao, L.; Sun, T.; Pei, J.*; Ouyang, Q.*, Mutation-induced protein interaction kinetics changes affect apoptotic network dynamic properties and facilitate oncogenesis. Proceedings of the National Academy of Sciences 2015, 112 (30), E4046-E4054.
  11. Xu, Y.; Dai, Z.; Chen, F.; Gao, S.; Pei, J.*; Lai, L.*, Deep learning for drug-induced liver injury.Journal of chemical information and modeling 2015, 55 (10), 2085-2093.
  12. Wang, X.; Chen, H.; Yang, F.; Gong, J.; Li, S.; Pei, J.*; Liu, X.; Jiang, H.; Lai, L.; Li, H.*, i Drug: a web-accessible and interactive drug discovery and design platform. Journal of cheminformatics 2014, 6 (1), 28.
  13. Shang, E.; Yuan, Y.; Chen, X.; Liu, Y.*; Pei, J.*; Lai, L.*, De novo design of multitarget ligands with an iterative fragment-growing strategy. Journal of chemical information and modeling 2014, 54 (4), 1235-1241.
  14. Pei, J.; Yin, N.; Ma, X.; Lai, L., Systems biology brings new dimensions for structure-based drug design. Journal of the American Chemical Society 2014, 136 (33), 11556-11565.
  15. Yuan, Y.; Pei, J.*; Lai, L., Binding site detection and druggability prediction of protein targets for structure-based drug design. Current pharmaceutical design 2013, 19 (12), 2326-2333.
  16. Gu, S.; Yin, N.; Pei, J.*; Lai, L., Understanding molecular mechanisms of traditional Chinese medicine for the treatment of influenza viruses infection by computational approaches. Molecular BioSystems 2013, 9 (11), 2696-2700.
  17. Yuan, Y.; Pei, J.*; Lai, L.*, LigBuilder 2: a practical de novo drug design approach. Journal of chemical information and modeling 2011, 51 (5), 1083-1091.
  18. Ni, S. S.; Yuan, Y. X.; Huang, J.; Mao, X. N.; Lv, M. S.; Zhu, J.; Shen, X.; Pei, J. F*.; Lai, L. H.; Jiang, H. L.; Li, J.*, Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach. Journal of Medicinal Chemistry 2009, 52, (17), 5295-5298.
  19. 19. Ju, X. L*.; Hao, Y. L.; Pei, J. F*.; Ozoe, Y. S., Investigation of structural requirements for inhibitory activity at the rat and housefly picrotoxinin binding sites in ionotropic GABA receptors using DISCOtech and CoMFA. Chemosphere 2007, 69, (6), 864-871.
20 Pei, J. F.; Wang, Q.; Liu, Z. M.; Li, Q. L.; Yang, K.; Lai, L. H., PSI-DOCK: Towards highly efficient and accurate flexible ligand docking. Proteins-Structure Function and Bioinformatics 2006, 62, (4), 934-946.
  1. Pei, J. F.; Chen, H.; Liu, Z. M.; Han, X. F.; Wang, Q.; Shen, B.; Zhou, J. J.; Lai, L. H., Improving the quality of 3D-QSAR by using flexible-ligand receptor models. Journal of Chemical Information and Modeling 2005, 45, (6), 1920-1933.
  2. 22.Pei, J. F.; Wang, Q.; Zhou, J. J.; Lai, L. H., Estimating protein-ligand binding free energy: Atomic solvation parameters for partition coefficient and solvation free energy calculation. Proteins-Structure Function and Bioinformatics 2004, 57, (4), 651-664.

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