中国科学院上海计算机研究所,蒋华良 ----中国科学院上海药物研究所

(2009.1.1-)

1. Jie Zhang, Hongchuan Liu, Kongkai Zhu,Shouzhe Gong, Shaynoor Dramsi, Ya-Ting Wang, Jiafei Li, Feifei Chen, Ruihan Zhang, Lu Zhou, Lefu Lan, Hualiang Jiang, Olaf Schneewind*, Cheng Luo*, Cai-Guang Yang*. Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase. Proceedings of the National Academy of Sciences U.S.A. In press.

2. Mingyue Zheng, Xian Liu, Yuan Xu, Honglin Li, Cheng Luo, Hualiang Jiang*. Computational methods for drug design and discovery: focus on China. Trends in Pharmacological Sciences 2013, 10, 549-559

3. Fang Bai, Yechun Xu, Jing Chen, Qiufeng Liu, Junfeng Gu, Xicheng Wang Jianpeng Ma, Honglin Li*, José Nelson Onuchic*, Hualiang Jiang*. Free energy landscape of the binding process of Huperzine A to acetylcholinesterase. Proceedings of the National Academy of Sciences U.S.A. 2013, 110, 4273–4278

4. Ping Li, , Zhuxi Chen, Haiyan Xu, Haifeng Sun, Hao Li, Hong Liu, Huaiyu Yang*, Zhaobing Gao*, Hualiang Jiang*, Min Li. The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands. Cell Research 2013, 23, 1106–1118

5. Yun Du, Huaiyu Yang*, Yechun Xu, Xiaohui Cang, Cheng Luo, Yanyan Mao, Yuanyuan Wang, 4 Guangrong Qin, Xiaomin Luo, Hualiang Jiang*. Conformational Transition and Energy Landscape of ErbB4 Activated by Neuregulin1β: One Microsecond Molecular Dynamics Simulations. Journal of the American Chemical Society 2012, 134, 6720-6731

6. Ye Yu, Zhi Chen, Wei Guang Li, Hui Cao, En-Guang Feng, Fang Yu, Hong Liu, Hualiang Jiang*, Tian-LeXu*. A Nonproton Ligand Sensor in the Acid-Sensing Ion Channel. Neuron 2010, 68, 61-72

7. Xiaofeng Liu, Sisheng Ouyang, Biao Yu, Yabo Liu, Kai Huang, Jiayu Gong, Siyuan Zheng, Zhihua Li, Honglin Li*, Hualiang Jiang*. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Research.2010, 38, W609-W614

8. Huaiyu Yang, Ye Yu, Wei GuangLi, Fang Yu, Hui Cao, TianLe Xu*, Hualiang Jiang*. Inherent Dynamics of the Acid-sensing Ion Channel 1 Correlates with the Gating Mechanism. PLoS Biology 2009, 7, e1000151

9. Honglin Li, Jin Huang, Lili Chen, Xiaofeng Liu, Tong Chen, Jin Zhu, Weiqiang Lu, Xu Shen, Jian Li*, Rolf Hilgenfeld*, Hualiang Jiang*. Identification of Novel Falcipain-2 Inhibitors as Potential Antimalarial Agents through Structure-Based Virtual Screening. Journal of Medicinal Chemistry. 2009, 52, 4936-4940

10. Lingyang He, Liang Zhang, Xiaofeng Liu, Xianghua Li, Mingyue Zheng, Honglin Li, Kunqian Yu, Kaixian Chen, Xu Shen, Hualiang Jiang*, Hong Liu*. Discovering Potent Inhibitors Against the beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) of Helicobacter pylori: Structure-Based Design, Synthesis, Bioassay, and Crystal Structure Determination. Journal of Medicinal Chemistry 2009, 52, 2465-2481