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1.Cao C, Wang S, Cui T, Su XC, Chou JJ: Ion and inhibitor binding of the double-ring ion selectivity filter of the Mitochondrial Calcium Uniporter. PNAS, 2017, 114(14): E2846-E2851.
2.Zhao L, Wang S, Zhu Q, Wu B, Liu Z, OuYang B, Chou JJ: Specific Interaction of the Human Mitochondrial Uncoupling Protein 1 with Free Long-Chain Fatty Acid. Structure, Volume 25, Issue 9, 5 September 2017, Pages 1371-1379.e3
3.Zhao L#, Wang S#, Du L, Dev J, Zhou L, Liu Z, Chou JJ*, OuYang B*: Structural basis of interaction between the hepatitis C virus p7 channel and its blocker hexamethylene amiloride. Protein Cell, 2016,7(4):300-4. (Co-first author)
4.Zhao L#, Wang S#, Run C, Ouyang B*, Chou JJ*: Specific Lipid Binding of Membrane Proteins in Detergent Micelles Characterized by NMR and Molecular Dynamics. Biochemistry, 2016, 55(38):5317-20. (Co-first author)
5.Lan-Lan Zang#, Xue-Jiao Wang, Xiao-Bo Li, Shu-Qing Wang#, Wei-Ren Xu, Xian-Bin Xie, Xian-Chao Cheng*, Huan Ma, Run-Ling Wang*, SAHA-based novel HDAC inhibitor design by core hopping method, Journal of Molecular Graphics and Modelling, 2014.11.01, 54:10~18 (Co-first author)
6.Qi-Shi Du, Shu-Qing Wang, Dong Chen, Jian-Zong Meng, Ri-Bo Huang, In Depth Analysis on the Binding Sites of Adamantane Derivatives in HCV (Hepatitis C Virus) p7 Channel Based on the NMR Structure, PLoS One. 2014; 9(4): e93613.
7.Xue-Jiao Wang, Jun Zhang, Shu-Qing Wang,Wei-Ren Xu, Xian-Chao Cheng*, Run-Ling Wang*, Identification of novel multitargeted PPARα/γ/δ pan agonists by core hopping of rosiglitazone, Drug Design, Development and Therapy, 2014, 8, 2255-2262.
8.Yuan-Yuan Jin, YingMa, Quan-XiongGao, Run-LingWang*, Shu-Qing Wang and Wei-Ren Xu. Design of specific inhibitors of the protein tyrosine phosphatase SHP-2 by virtual screening andcore hopping method, Molecular Simulation, 2014, 40(12): 904–911.
9.Duan Yu-Qing#, Ma Ying#, Wang Xue-Jiao, Jin Yuan-Yuan, Wang Run-Ling*, Dong Wei-Li, Xu Wei-Ren, Kong De-Xin, Wang Shu-Qing*, Design potential selective inhibitors for treating cancer by targeting the Src homology 2 (SH2) domain-containing phosphatase 2 (Shp2) with core hopping approach.,Protein Pept Lett, 2014.6.01, 21(6): 556~563. (Correspondence author)
10.Wu Jing-Wei, Zhang Huan, Duan Yu-Qing, Dong Wei-Li, Cheng Xian-Chao, Wang Shu-Qing*,Wang Run-Ling*, Design novel inhibitors for treating cancer by targeting Cdc25B catalytic domain with de novo design., Comb Chem High Throughput Screen, 2014.01.01, 17(10):837~847. (Correspondence author)
11.Jing Gao, Xiao-Hui Wu, Wei-Li Dong, Shu-Qing Wang*, A series of propofol analogs design by targeting pentameric ligand-gated ion channel in silico method. Protein Pept Lett. 2013 Nov; 20(11):1238-1245.
12.Ying Ma ,Su-XiaSun ,Xian-ChaoCheng ,Shu-QingWang,Wei-LiDong, Run-LingWang*and Wei-RenXu. Design and Synthesis of Imidazolidine-2,4-Dione Derivativesas Selective Inhibitorsby TargetingProtein Tyrosine Phosphatase-1B Over T-CellProtein Tyrosine Phosphatase, Chem Biol Drug Des. 2013, 82(5): 595-602.
13.Liu L, Ma Y, Wang RL*, Xu WR, Wang SQ*, Chou KC, Find novel dual-agonist drugs for treating type 2 diabetes by means of Chem-informatics, Drug Design, Development and Therapy,April 2013 Volume 2013:7 Pages 279 – 288. (Correspondence author)
14.Wei-Bing Zhang, Wen-Bo Liu, Jing-Wei Wu, Wei-Li Dong, Shu-Qing Wang*, Run-Ling Wang*,The derivatives of oseltamivir design passing through the important cleft of neuraminidase against influenza virus by de novo design, Molecular Simulation, 2013.12.6, 40(15): 1209~1217. (Correspondence author)
15.Wen-Ming Li, Xiao-Bo Li,Su-Xia Sun, Jing Liang, Run-Ling Wang*and Shu-QingWang. Agonist and antagonist recognition studies for oestrogen receptor by molecular dynamics Simulation, Molecular Simulation, 2013, 39(3): 228-233
16.Ying Ma, Shu-qing Wang*, Wei-Ren Xu, Run-ling Wang*, Kuo-Chen Chou, Design Novel Dual Agonists for Treating Type-2 Diabetes by Targeting Peroxisome Proliferator-Activated Receptors with Core Hopping Approach, PLoS One, 7( 6): e38546, 2012. (Correspondence author)
17.Zhang LS, Wang SQ, Xu WR, Wang RL*, Wang JF*. Scaffold-based pan-agonist design for the PPARα, PPARβ and PPARγ receptors,PLoS One, 7(10):e48453, 2012. (Co-first authors)
18.Du QS, Gao J, Wei YT, Du LQ, Wang SQ*, Huang RB, Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design, J. Chem. Inf. Model., 52 (4), 996–1004, 2012.
19.Xiao-Bo Li, Shu-Qing Wang*, Wei-Ren Xu, Run-Ling Wang*, Kuo-Chen Chou, Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method, 6(11): e28111, 2011. (Correspondence author)
20.Liu Xu-Yuan, Wang Run-Ling*, Xu Wei-Ren, Tang Li-Da, Wang Shu-Qing*, Chou Kuo-Chen, Docking and Molecular Dynamics Simulations of Peroxisome Proliferator Activated Receptors Interacting with Pan Agonist Sodelglitazar. Protein and Peptide Letters, 18(10): 1021-1027, 2011. (Correspondence author)
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