An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network. - Yong-Hua Wang; Yan Li 025; Sheng-Li Yang; Ling Yang (J. Comput. Aided Mol. Des., 2005)

Classification of Substrates and Inhibitors of P-Glycoprotein Using Unsupervised Machine Learning Approach. - Yong-Hua Wang; Yan Li 025; Sheng-Li Yang; Ling Yang (J. Chem. Inf. Model., 2005)

Dynamic Model and Regulatory Mechanism of Integrated ERK Signal Pathway Activated by Epidermal Growth Factor. - Hua Fang; Yan Li 025; Yonghua Wang; Shuwei Zhang (ICNC (2), 2008)

Dynamic Analysis of Feedback Loops in Extra-Cellular Signal Regulated Kinase Signal Network. - Yong Han; Yan Li 025; Yonghua Wang; Hua Fang; Shuwei Zhang (CSIE (1), 2009)

Toward a system-level understanding of microRNA pathway via mathematical modeling. - Xia Wang; Yan Li 025; Xue Xu; Yong-Hua Wang (Biosyst., 2010)

Investigation of binding features: Effects on the interaction between CYP2A6 and inhibitors. - Chunzhi Ai; Yan Li 025; Yonghua Wang; Wei Li 179; Peipei Dong; Guangbo Ge; Ling Yang (J. Comput. Chem., 2010)

Mechanism of MicroRNA-Target Interaction: Molecular Dynamics Simulations and Thermodynamics Analysis. - Yonghua Wang; Yan Li 025; Zhi Ma; Wei Yang 052; Chunzhi Ai (PLoS Comput. Biol., 2010)

MiR-206-mediated dynamic mechanism of the mammalian circadian clock. - Wei Zhou 014; Yan Li 025; Xia Wang; Lianqi Wu; Yonghua Wang (BMC Syst. Biol., 2011)

Combined 3D-QSAR, Molecular Docking, and Molecular Dynamics Study on Piperazinyl-Glutamate-Pyridines/Pyrimidines as Potent P2Y12 Antagonists for Inhibition of Platelet Aggregation. - Ming Hao; Yan Li 025; Yonghua Wang; Yulian Yan; Shuwei Zhang (J. Chem. Inf. Model., 2011)

Combined 3D-QSAR, Molecular Docking, and Molecular Dynamics Study on Piperazinyl-Glutamate-Pyridines/Pyrimidines as Potent P2Y12 Antagonists for Inhibition of Platelet Aggregation. - Ming Hao; Yan Li 025; Yonghua Wang; Yulian Yan; Shuwei Zhang; Guohui Li; Ling Yang (J. Chem. Inf. Model., 2011)

Dynamic Analysis of Feedback Loops in Extra-Cellular Signal Regulated Kinase Signal Network. - Yong Han; Yan Li 025; Jing Liu; Yonghua Wang; Shuwei Zhang (J. Next Gener. Inf. Technol., 2011)

Systems pharmacology in drug discovery and therapeutic insight for herbal medicines. - Chao Huang 030; Chunli Zheng; Yan Li 025; Yonghua Wang; Aiping Lu; Ling Yang (Briefings Bioinform., 2014)

Insight into the binding mode and the structural features of the pyrimidine derivatives as human A2A adenosine receptor antagonists. - Lihui Zhang; Tianjun Liu; Xia Wang; Jinan Wang; Guohui Li; Yan Li 025; Ling Yang; Yonghua Wang (Biosyst., 2014)

TCMSP: a database of systems pharmacology for drug discovery from herbal medicines. - Jinlong Ru; Peng Li 004; Jinan Wang; Wei Zhou 014; Bohui Li; Chao Huang 030; Pidong Li; Zihu Guo; Weiyang Tao; Yinfeng Yang; Xue Xu; Yan Li 025; et al. (J. Cheminformatics, 2014)

Large-scale exploration and analysis of drug combinations. - Peng Li 004; Chao Huang 030; Yingxue Fu 002; Jinan Wang; Ziyin Wu; Jinlong Ru; Chunli Zheng; Zihu Guo; Xuetong Chen; Wei Zhou 014; Wenjuan Zhang; Yan Li 025; et al. (Bioinform., 2015)

NOGEA: A Network-oriented Gene Entropy Approach for Dissecting Disease Comorbidity and Drug Repositioning. - Zihu Guo; Yingxue Fu 002; Chao Huang 030; Chunli Zheng; Ziyin Wu; Xuetong Chen; Shuo Gao 004; Yaohua Ma; Mohamed Shahen; Yan Li 025; Pengfei Tu; Jingbo Zhu; et al. (Genom. Proteom. Bioinform., 2021)

Computational prediction for the metabolism of human UDP-glucuronosyltransferase 1A1 substrates. - Ya-Bian Luo; Yan-Yao Hou; Zhen Wang; Xin-Man Hu; Wei Li 179; Yan Li 025; Yong Liu; Tong-Jiang Li; Chunzhi Ai (Comput. Biol. Medicine, 2022)

Decoding herbal combination models through systematic strategies: insights from target information and traditional Chinese medicine clinical theory. - Mingjuan Wang; Xuetong Chen; Mingxing Liu; Huiying Luo; Shuangshuang Zhang; Jie Guo; Jinghui Wang; Li Zhou; Na Zhang; Hongyan Li; Chao Wang; Liang Li; et al. (Briefings Bioinform., 2025)