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研究领域

涉及有机化学、药物化学、计算化学、计算分子生物学、结构生物学和化学生物学等学科。

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Xinli Liu, Yechun Xu, Honglin Li, Xicheng Wang*, Hualiang Jiang*, Francisco J. Barrantes. Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor. PLoS Computational Biology 4 (2008), e19. Juwen Shen, JianZhang, Xiaomin Luo, Weiliang Zhu, Kunqian Yu, Kaixian Chen, Yixue Li, Hualiang Jiang*. Predicting protein-protein interactions only based on sequences information. Proceedings of the National Academy of Sciences U.S.A. (PNAS), 104 (2007), 4337-4341. Hong Liu, Zhao-Bing Gao, Zhiyi Yao, Suxin Zheng, Yang Li, Weiliang Zhu, Xiaojian Tan, Xiaomin Luo, Jianhua Shen, Kaixian Chen, Guo-Yuan Hu*, and Hualiang Jiang*. Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay. Journal of Medicinal Chemistry, 50 (2007), 83-93. Honglin Li, Zhenting Gao, Ling Kang, Hailei Zhang, Kun Yang, Xiaomin Luo, Kaixian Chen, Jianhua Shen, Xicheng Wang* and Hualiang Jiang*. TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Research, 34 (2006), W219-W224. Jian Zhang, Chenjing Li, Kaixian Chen, Weiliang Zhu, Xu Shen, Hualiang Jiang*. Conformational transition pathway in the allosteric process of human glucokinase, Proceedings of the National Academy of Sciences U.S.A. (PNAS), 103(36) (2006), 13368-13373. Jian Zhang, Yechun Xu, Jianhua Shen, Xiaomin Luo, Jiagao Chen, Kaixian Chen, Weiliang Zhu, and Hualiang Jiang*. Dynamic mechanism for the autophosphorylation of CheA histidine kinase: Molecular dynamics simulations. Journal of the American Chemical Society, 128 (2006), 11709-11719. Yechun Xu, Jianhua Shen, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Jianpeng Ma*, Hualiang Jiang*. Conformational transition of amyloid b-peptide. Proceedings of the National Academy of Sciences U.S.A (PNAS), 102 (2005), 5403-5407. Yechun Xu, Francisco J. Barrantes, Xiaomin Luo, Kaixian Chen, Jianhua Shen* and Hualiang Jiang*. Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study.Journal of the American Chemical Society, 127 (2005), 1291-1299. Yechun Xu, Jianhua Shen*, Xiaomin Luo, Israel Silman, Joel L. Sussman*, Hualiang Jiang*, Kaixian Chen. How does huperzine A enter and exit the active site of acetylcholinesterase? steered molecular dynamics simulations. Journal of the American Chemical Society, 125 (2003), 11340-11349. Hong Liu, Yang Li, Xiaojian Tan, Feng Cheng, Suxin Zheng, Jianhua Shen, Xiaomin Luo, Jianmin Yue*, Guoyuan Hu*, Kaixian Chen,Hualiang Jiang*, Ruyun Ji. Structure-based discovery of potassium channel blockers from natural products virtual screening and electrophysiological assay. Chemistry & Biology,10(11) (2003), 1103-1113.

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