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Nan Zheng, Jiagao Cheng*, Wei Zhang, Weihua Li, Xusheng Shao, Zhiping Xu, Xiaoyong Xu, Zhong Li*, The binding difference of fipronil with GABAARs in fruitfly and zebrafish: Insights from homology modeling, docking and molecular dynamics simulation studies．J. Agric. Food. Chem. 2014, 62, 10646-10653
Zheng Wang, Jinjin Ye, Rui Wu, Yang-Zi Liu, John S Fossey, Jiagao Cheng*, Wei-Ping Deng*. Bi-Aryl Rotation in Phenyl-dihydroimidazoquinoline Catalysts for Kinetic Resolution of Arylalkyl Carbinols. Catal. Sci. Technol., 2014, 4(7), 1909-1913（封面文章）
Shuang Xia, Yue Feng, Jiagao Cheng*, Haibin Luo, Zhong Li*, Zhengming Li. QAAR exploring on pesticides with high solubility: an investigation on sulfonylurea herbicide dimers based on π-π stacking interaction. Chin. Chem. Lett., 2014, 25, 973-977
Shuang Xia, Jiagao Cheng*, Yue Feng, Xusheng Shao, Haibin Luo, Zhiping Xu, Xiaoyong Xu and Zhong Li*. Computational Investigations about the Effects of Hetero-molecular Aggregation on Bioactivities: a Case of Neonicotinoids and Water. Chin. J. Chem., 2014, 32(4), 324–334
Ying Yang, Wei Zhang, Jiagao Cheng*, Yun Tang, Yanqing Peng, Zhong Li*, Pharmacophore, 3D-QSAR and Bayesian Model Analysis for Ligands Binding at the Benzodiazepine Site of GABAA Receptors: the Key Roles of Amino Group and Hydrophobic Sites. Chem. Biol. Drug. Des.2013, 81, 583-590（封面文章）
Wei Zhang, Shuang Xia, Jinjin Ye, Yun Tang, Zhong Li*, Weiping Zhu, Jiagao Cheng*, Structural Features of GABAA Receptor Antagonists: Pharmacophore Modeling and 3D-QSAR Studies, Med. Chem. Res., 2013, 22, 5961–5972
Hou-ling Dai, Li-xin Gao, Ying Yang, Jing-ya Li, Jia-gao Cheng*, Jia Li*, Ren Wen,Yan-qing Peng, Jian-bin Zheng*. Discovery of di-indolinone as a novel scaffold for protein tyrosine phosphatase 1B inhibitors. Bioorgan. Med. Chem. Lett. 2012, 22(24), 7440–7443.
Wenwen Zhang, Yefeng Fan, Tao Yu, Zhiping Xu, Xiaoyong Xu*, Jiagao Cheng*, Zhong Li, “Synthesis, Insecticidal Assay and Molecular Docking Study of Novel Neonicotinoids N-Oxide Analogues”. Chin. J. Chem., 2012, 30(2), 357-361.
Quanjuan Zhang, Zhichun Zhu, Yongli Zheng, Jiagao Cheng, Na Zhang, Yi-Tao Long, Jing Zheng,* Xuhong Qian*, Youjun Yang*. A three-channel fluorescent probe that distinguishes peroxynitrite from hypochlorite. J. Am. Chem. Soc., 2012, 134(45), 18479-18482.
Feng Fan, Jiagao Cheng, Zhong Li*, Xiaoyong Xu, Xuhong Qian*. “Novel dimer based descriptors with solvational computation for QSAR study of oxadiazoylbenzoyl-ureas as novel isect-growth regulators”. Journal of Computational Chemistry. 2010, 31(3), 586-591
Qing Shen, Hui-fang Liu, Wei Li, Ying Li, Jia-gao Cheng*, Jing-gen Liu, Wei Fu*, “Modulated interaction of m/d opioid receptors and the drug discovery and design strategy”, Chinese Pharmacological Bulletin, 2010, 26(1), 4-8
Tingting Cao, Yipei Ma, Xiuhua Yan, Jiagao Cheng*, Youhua Luo, Liming He, Weiliang Zhu*. “Is Free Cyclooctatetraene Dianion an Aromatic System? A Quantum Chemistry Study”, Chin. J. Chem. 2009, 27, 1914-1918
Feng Fan, Jin Zhu, Shuaishuai Ni, Jiagao Cheng*, Yun Tang, Congmin Kang, Jian Li, Hualiang Jiang. “Pharmacophore Refinement and 3D-QSAR Studies of Inhibitors of Cyclophilin A Containing Amide Linker” QSAR Comb. Sci., 2009, 28(2), 183-193
Lingyan He§, Jiagao Cheng§, Tao Wang, Caimei Li, Zhen Gong, Hong Liu, Bu-Bing Zeng, Hualiang Jiang, Weiliang Zhu, "Cation-π complexes formed between cyclooctantetraene and alkaline earth metals: predicted and recorded NMR features", Chem. Phys. Lett. 2008, 462, 45-58. (§并列一作）
Jiagao Cheng, WeiLiang Zhu, YanLi Wang, XiuHua Yan, Zhong Li, Yun Tang, HuaLiang Jiang*, "The Open-Close Mechanism of M2 Channel Protein in Influenza A Virus: A Computational Study on the Hydrogen Bonds and Cation-pi interactions among His37 and Trp41", Sci. China Ser.B-Chem, 2008, 51(8), 768-775.
Jiagao Cheng, XiaoMin Luo, XiuHua Yan, Zhong Li, Yun Tang, HuaLiang Jiang，WeiLiang Zhu, "Research Progress in Cation-pi interactions", Sci. China Ser.B-Chem, 2008, 51(8), 709-717.
Jiagao Cheng, Zhen Gong, Weiliang Zhu, Yun Tang, Weihua Li, Zhong Li, Hualiang Jiang. “Cation sitting in aromatic cages: ab initio computational studies on tetramethylammonium–(benzene)n (n=3–4) complexes” J. Phys. Org. Chem., 2007, 20, 48-457.
Yanli Wang, Jiagao Cheng, Xuhong Qian*, Zhong Li*. “Actions between neonicotinoids and key residues of insect nAChR based on an ab initio quantum chemistry study: Hydrogen bonding and cooperative π—π interaction”. Bioorgan. Med. Chem. 2007, 15, 2624-2630.
Jiagao Cheng, Weiliang Zhu, Yun Tang, Yufang Xu, Zhong Li, Kaixian Chen, Hualiang Jiang. “Effect of cation-π interaction on NMR: A theoretical investigation on complexes of Li+, Na+, Be2+, and Mg2+ with aromatics.” Chem. Phys. Lett. 2006, 422, 455-460.
Jiagao Cheng, Congmin Kang, Weiliang Zhu, Xiaomin Luo, Chum Mok Puah, Kaixian Chen, Jianhua Shen, Hualiang Jiang. “N-Methylformamide-Benzene Complex as a Prototypical Peptide N-H???π Hydrogen-Bonded System: Density Functional Theory and MP2 Studies.” J. Org. Chem. 2003, 68(2), 7490-7495.
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