深圳市计算化学与药物设计重点实验室
Lab of Computational Chemistry and Drug Design

Dr. Fan Jiang

时间:2013-04-08

 

JF_大

蒋帆 Dr. Fan Jiang

Research Assoc. Prof.(2014~)

Ph. D Peking University

Date of Birth: March 8, 1982

Place of Birth:  Chengdu, Sichuan, P. R. China

 

Education:

1999-2003: B. Sc. in Chemistry, Peking University

2003-2008: PhD in Physical Chemistry, Peking University (Advisor: Prof. Yun-Dong Wu)

2008-2010: Research Associate, the Hong Kong University of Science and Technology

2010-2014: Post doctor fellow, Peking University Shenzhen Graduate School

2014-present: Research Assoc. Prof, Peking University Shenzhen Graduate School

 

Current Research Areas:

The development and application of new methods for biomolecular simulations.

1. Evaluation and parameterization of new atomistic force fields for protein/peptide simulations.

2. Using new force fields to better predict the 3D structures of cyclic peptides and proteins.

 

Publications:

1. Tang, Z.; Jiang, F.; Yu, L. T.; Cui, X.; Gong, L. Z.; Mi, A. Q.; Jiang, Y. Z.; Wu, Y.-D. Novel small organic molecules for a highly enantioselective direct Aldol reaction. J. Am. Chem. Soc.2003, 125, 5262-5263.

2. Tang, Z.;† Jiang, F.;† Cui, X.; Gong, L. Z.; Mi, A. Q.; Jiang, Y. Z.; Wu, Y.-D. Enantioselective direct aldol reactions catalyzed by L-prolinamide derivatives. Proc. Natl. Acad. Sci. U.S.A.2004, 101, 5755-5760. (†co-first author)

3. Zhang, H. L.; Jiang, F.; Zhang, X. M.; Cui, X.; Gong, L. Z.; Mi, A. Q.; Jiang, Y. Z.; Wu, Y.-D. Modification of (1R,2S)-1,2-diphenyl-2-aminoethanol for the highly enantioselective, asymmetric alkylation of N-diphenylphosphinoyl arylimines with dialkylzinc. Chem. Eur. J.2004, 10, 1481-1492.

4. Cheng, C. L.; Sun, J.; Wang, C.; Zhang, Y.; Wei, S. Y.; Jiang, F.; Wu, Y.-D. Protonated N’-benzyl-N’- prolyl proline hydrazide as highly enantioselective catalyst for direct asymmetric aldol reaction. Chem. Commun.2006, 215-217.

5. Jiang, F.; Wu, Y.-D. Theoretical studies on shortest a-helix. Chem. J. Chin. Univ.2008, 29, 2371-2376.

6. Jiang, F.; Han, W.; Wu, Y.-D. Influence of side chain conformations on local conformational features of amino acids and implication for force field development. J. Phys. Chem. B.2010, 114, 5840-5850.

7. Han, W.; Wan, C.; Jiang, F.; Wu, Y.-D. PACE force field for protein simulations. 1. Full parameterization of version 1 and verification. J. Chem. Theory Comput.2010, 6, 3373-3389.

8. Wu, X.; Wang, Y.; Zhuo, Z.; Jiang, F.; Wu, Y.-D. Identifying the hotspots on the top faces of WD40-repeat proteins from their primary sequences by b-bulges and DHSW tetrads. Plos One2012, 7, e43005.

9. Wang, Y.; Jiang, F.; Zhuo, Z.; Wu, X.; Wu, Y.-D. A method for WD40 repeat detection and secondary structure prediction. Plos One2013, 8, e65705.

10. Jiang, F.; Han, W.; Wu, Y.-D. The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development. Phys. Chem. Chem. Phys.2013, 15, 3413-3428. (invited perspective article)

11. Jiang, F.;* Zhou, C.-Y.; Wu, Y.-D.* Residue-specific force field based on the protein coil library. RSFF1: modification of OPLS-AA/L. J. Phys. Chem. B. 2014, 118, 6983-6998. (*co-corresponding author, invited feature article with cover art)

12. Jiang, F.;* Wu, Y.-D.* Folding of fourteen small proteins with a residue-specific force field and replica-exchange molecular dynamics. J. Am. Chem. Soc.2014, 136, 9536–9539. (*co-corresponding author)

13. Zhou, C.-Y.; Jiang, F.;* Wu, Y.-D.* Residue-specific force field based on protein coil library. RSFF2: modification of Amber ff99SB. J. Phys. Chem. B2015, 119, 1035–1047. (*co-corresponding author)

14. Xun, S.; Jiang, F.;* Wu, Y.-D.* Significant refinement of protein structure models using a residue-specific force field. J. Chem. Theory Comput.2015, 11, 1949–1956. (*co-corresponding author)

15. Zhou, C.; Jiang, F.;* Wu, Y.-D.* Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field. J. Chem. Theory Comput.2015, 11, 5473-5480.

16. Zeng, J.; Jiang, F.;* Wu, Y.-D.* Folding simulations of an α‑helical hairpin motif αtα with residue-specific force fields. J. Phys. Chem. B2016, 120, 33–41.

17. Geng, H.; Jiang, F.;* Wu, Y.-D.* Accurate Structure Prediction and Conformational Analysis of Cyclic Peptides with Residue-Specific Force Fields. J. Phys. Chem. Lett.2016, 7, 1805–1810.

18. Hu, K.; Geng, H.; Zhang, Q.; Liu, Q.; Xie, M.; Sun, C.; Li, W.; Lin, H.; Jiang, F.; Wang, T.;* Wu, Y. D.;* Li, Z.* An In-tether Chiral Center Modulates the Helicity, Cell Permeability, and Target Binding Affinity of a Peptide. Angew. Chem. Int. Ed.2016 published on web.

 

Awards:

1999 Freshman award, Peking University

2005-2006 Dong-Gang scholarship, Peking University

2008 Thomson-Reuters Research Fronts Award