DDDC Personal Webpage
 

Xu Yechun
ycxu@mail.shcnc.ac.cn

 

Bachelor, 1995-1999, East China Normal University, China
Master, 1999-2001, East China Normal University, China
PhD, 2001-2004, Shanghai Institute of Materia Medica, China
Post-doc, 2005-2009, Weizmann Institute of Science, Israel
PI, 2009-, Shanghai Institute of Materia Medica, China

Publications

  • Yechun Xu, Jacques Ph. Colletier, Martin Weik, Hualiang Jiang, John Moult, Israel Silman, Joel L. Sussman. Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray vs MD. Biophys. J. 2008, 95, 2500-2511.
  • Yechun Xu, Jacques Ph. Colletier, Hualiang Jiang, Israel Silman, Joel L. Sussman, Martin Weik. Induced-fit of preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design. Prot. Sci. 2008, 17, 601-605.
  • Xinli Liu, Yechun Xu, Xicheng Wang, Francisco J. Barrantes, Hualiang Jiang. Unbinding of nicotine from the acetylcholine binding protein: steered molecular dynamics simulations. J. Phys. Chem. B. 2008, 112, 4087-4093.
  • Xinli Liu, Yechun Xu, Honglin Li, Xicheng Wang, Hualiang Jiang, Francisco J. Barrantes. Mechanics of channel gating of the nicotinic acetylcholine receptor. PLoS Comput. Biol. 2008, 4, e19.
  • Huaiyu Yang, Yechun Xu, Weiliang Zhu, Kaixian Chen, and Hualiang Jiang. Detailed mechanism for AmtB conducting NH+4/NH3: molecular dynamics simulations. Biophys. J. 2007, 92, 877-885.
  • Yechun Xu, Francisco J. Barrantes, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Hualiang Jiang. Blocking of the nicotinic acetylcholine receptor ion channel by chlorpromazine, a noncompetitive inhibitor: a molecular dynamics simulation study. J. Phys. Chem. B 2006, 110, 20640-20648.
  • Dongxiang Liu, Yechun Xu, Yu Feng, Hong Liu, Xu Shen, Kaixian Chen, Jianpeng Ma, Hualiang Jiang. Inhibitor discovery targeting the intermediate structure of b-Amyloid peptide on the conformational transition pathway: implications in the aggregation mechanism of b-amyloid peptide. Biochemistry 2006, 45, 10963-10972.
  • Yechun Xu, Xiaomin Luo, Jianhua Shen, Weiliang Zhu, Kaixian Chen, Hualiang Jiang. Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions. Current Protein and Peptide Science 2006, 7, 195-200 (review).
  • Yechun Xu, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianpeng Ma, Hualiang Jiang. Conformational transition of amyloid b-peptide. PNAS 2005, 102, 5403-5407.
  • Yechun Xu, Francisco J. Barrantes, Xiaomin Luo, Kaixian Chen, Jianhua Shen, Hualiang Jiang. Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study. J. Am. Chem. Soc. 2005, 127, 1291-1299.
  • Yechun Xu, Jianhua Shen, Weiliang Zhu, Xiaomin Luo, Kaixian Chen, Hualiang Jiang. Influence of water molecule on cation-p interaction: ab initio second order M?ller-Plesset perturbation theory (MP2) calculations. J. Phys. Chem. B. 2005, 109, 5945-5949.
  • Jian Zhang, Yechun Xu, Jianhua Shen, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang. Dynamic mechanism for the autophosphorylation of CheA histidine kinase: molecular dynamics simulations. J. Am. Chem. Soc. 2005, 127, 11709-11719.
  • Chunying Niu, Yechun Xu, Yong Xu, Xiaomin Luo, Wenhu Duan, Israel Silman, Joel L. Sussman, Weiliang Zhu, Kaixian Chen, Jianhua Shen, Hualiang Jiang. Dynamic mechanism of E2020 binding to acetylcholinesterase: a steered molecular dynamics simulation. J. Phys. Chem. B, 2005, 109, 23730-23738.
  • Silvia S. Antollini, Yechun Xu, Hualiang Jiang, Francisco J. Barrantes. Fluorescence and molecular dynamics studies of the acetylcholine receptor gM4 transmembrane peptide in reconstituted systems. Mol. Mem. Biol. 2005, 22, 471-483.
  • Jinzhi Tan, Koen H.G. Verschueren, Kanchan Anand, Jianhua Shen, Maojun Yang, Yechun Xu, Zihe Rao, Janna Bigalke, Burkhard Heisen, Jeroen R. Mesters, Kaixian Chen, Xu Shen, Hualiang Jiang, Rolf Hilgenfeld. pH-dependent Conformational flexibility of the SARS-CoV main rroteinase (Mpro) dimer: molecular dynamics simulations and multiple X-ray structure analyses. J Mol Biol. 2005, 354, 25-40.
  • Yechun Xu, Jianhua Shen, Xiaomin Luo, Xu Shen, Kaixian Chen, Hualiang Jiang. Steered molecular dynamics simulations of protein-ligand interactions. Science in China Ser. B Chemistry, 2004, 47:355-366 (review).
  • Yechun Xu, Jianhua Shen, Xiaomin Luo, Israel Silman, Joel L. Sussman, Kaixian Chen, Hualiang Jiang. How does huperzine A enter and leave the binding gorge of acetylcholinesterase? steered molecular dynamics simulation. J. Am. Chem. Soc. 2003, 125, 11340-11349.
  • Lingling Shen, Jianhua Shen, Xiaomin Luo, Feng Cheng, Yechun Xu, Kaixian Chen, Edward Arnold, Jianping Ding, Hualiang Jiang. Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT. Biophys. J. 2003, 84, 3547-3563.
  • Yechun Xu, Kaili Lin, Jiaomai Pan, Weiliang Zhou, Simultaneous determination of zinc and copper in biologic samples by Bakpropagation Network. Computers and Applied Chemistry (Ji Suan Ji Yu Ying Yong Hua Xue). 2000, 17, 99-100.
  • Yechun Xu, Weiliang Zhou, Jiaomai Pan, A Study on the spectrophotometric determination of copper in the biological samples and aluminum alloys with a new chromogenic reagent HBPCF. Journal of Analytical Science (Fen Xi Ke Xue Xue Bao). 2000, 16, 297-299.
  • Yechun Xu, Jiaomai Pan, Study on the photometric determination of zinc with a new chromogenic reagent HBPCF and its analytical application. PTCA (PART B: CHEMICAL ANALYSIS).(Li Hua Jian Yan ¨C Hua Xue Fen Ce). 2000, 36, 488-492.

AWARDS

    • CAS-Novo Nordisk Great Wall Professorship (2009)
    • Dean of Faculty¡¯s Fellowship, Weizmann Institute of Science (2005-2008)
    • Awards for the national top-100 excellent doctoral dissertations (2006)
    • SERVIER young investigator awards prize in medicinal chemistry (2005)
    • ¡°Baojie¡± scholarship for outstanding PhD students (2003)
    • ¡°Zhong Shan Wu Mao¡± scholarship for outstanding graduate students (2000)
    • The honors of ¡°invention San Qiang Bei in Shanghai¡± (2000)
    • The honors of excellent graduate of the East China Normal University (1999)
    • Third prize of the sixth national session ¡°Tiao Zhan Bei¡±(1999)
Last Update 2009-10-29