Jianfeng PEI

2019-08-20 11:31:16 5

Jianfeng PEI



Center for Theoretical Biology, Academy for Advanced Interdisciplinary Studies, Peking University





1998-2002, Ph.D., Institute of Process Engineering, Chinese Academy of Sciences, Chemical Engineering
1995-1998, M.S., Wuhan Institute of Virology, Chinese Academy of Sciences, Microbiology
1991-1995, B.S., Wuhan University, Biology



Research interests:


Molecular Docking, De Novo Drug Design, Systems-Based Drug Design, Multi-target Drug Design, Lead Optimization, Drug Design Applications.


Academic  Work 


2006-now, Associate Professor, Academy of Advanced Interdisciplinary Studies, Peking University
2002-2006, Post Doc., Department of Chemistry, Department of Physics, Peking University
2005-2006, Short-Term Visiting Scholar, SUNY Buffalo



Selected publications:


1. 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.

2. 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.

3. 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.

4. 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.

5. 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.