李燕
院系：化工学院
办公电话：**
电子信箱：adinalee@163.com
更新时间：2015-7-31
其他专业：无



个人简介
2013-至今大连理工大学 材料化工系 副教授
2006-2012大连理工大学 材料化工系 讲师 硕导
2003-2006大连理工大学与大连化物所联合培养 化学工艺 博士
2000-2003大连理工大学 化学工艺 硕士
1997-2002中国海洋石油化学公司 助工 厂报主编
1993-1997大连理工大学 化学工艺 本科


社会兼职
2015 石河子大学“绿洲学者”
为20多个杂志担任审稿专家
Trends in Pharmacological Sciences (IF: 10.93)
Medicinal Research Reviews (IF: 10.70)
British Journal of Pharmacology (IF: 5.07)
Colloids and Surfaces B-Biointerfaces (IF: 3.55)
Bioorganic & Medicinal Chemistry (IF: 2.90)
Anti-Cancer Agents in Medicinal Chemistry (IF: 2.61)
International Journal of Molecular Science (IF: 2.46)
Molecular Informatics (IF: 2.34)
Arabian Journal of Chemistry (IF: 2.27)
Combinatorial Chemistry & High Throughput Screening (IF: 2.00)
Journal of Molecular Modeling (IF: 1.98)
Medicinal Chemistry (IF: 1.37)
Evolutionary Bioinformatics (IF: 1.33)
Molecular Simulation (IF: 1.06)
African Journal of Biotechnology (IF: 0.57)
Letters in Drug Design & Discovery (IF: 0.55)
Academia Journal of Scientific Research
Journal of Pharmacy Research
Academia Journal of Environmental Sciences
Journal of Pharmacy and Bioallied Sciences
Bioinformatics and Biology Insights
武汉大学学报


研究领域（研究课题）
在课题方面，主持含自然科学基金等3项项目。主持地市级横向项目2项，参与承担50多项。个人承担500多万。以下为主持的部分项目：
1.多尺度细胞模拟理论和算法研究；
2.肿瘤多药耐药P糖蛋白逆转剂的计算机辅助研究；
3.药物吸收、分布、代谢、排泄、毒性计算机辅助研究；
4.低温甲醇洗可研方案；
5.锡林郭勒苏尼特碱业有限公司节能降耗技术改造方案；


硕博研究方向
中药系统药理学、生物信息学、医学信息处理、药物设计、化工系统工程

出版著作和论文
共发表科技论文141篇，包括99篇英文和42篇中文。其中SCI收录论文95篇，总影响因子达278.1, EI收录 12篇。其中，以第一或通讯作者身份在Curr Med Chem (IF: 4.9)、Anal Chim Acta (IF: 4.6)、J Chem Inf Model (IF: 4.7)、Soft Matter (IF: 3.9)、Plos One (IF: 3.7)、Mol Bio Syst (IF: 3.5)、Mol Divers (IF: 3.2)、QSAR Comb Sci (IF: 3.0)等各类国内外学术期刊发表研究成果63篇, 总影响因子达105.5。
以下仅列出部分论文：

1.Y Li*, J Zhang, W Gao, L Zhang, Y Pan, S Zhang, Y Wang*. Insights on structural characteristics and ligand binding mechanisms of CDK2. Int. J. Mol. Sci. 2015, 16, 9314-9340. (SCI, IF: 2.862).
2.J Wang, Y Li*, Y Yang, J Du, S Zhang, L Yang. In silico research to assist the investigation of carboxamides derivatives as potent TRPV1 antagonists. Mol. BioSyst., 2015, accepted, DOI: 10.1039/C5MB00356C. (SCI, IF=3.210)
3.Y Li*, J Zhang, L Zhang, X Chen, Y Pan, S Chen, S Zhang, Z Wang, W Xiao*, L Yang, Y Wang. Systems pharmacology to decipher the combinational anti-migraine effects of Tianshu Formula. J Ethnopharmacol, 2015, accepted. (SCI, IF=2.998)
4.J Zhang, Y Li*, S Chen, L Zhang, J Wang, Y Yang, S Zhang, Y Pan, Y Wang, L Yang. Systems pharmacology dissection of the anti-inflammatory mechanism for the medicinal herb folium eriobotryae. Int. J. Mol. Sci. 2015, 16, 2913-2941. (SCI, IF: 2.862).
5.Y Li*, D Wang, Y Yang, J Zhang, C Han, J Wang, W Gao, G Zhang, X Sun, B Wang, S Zhang, L Yang. The 3D-QSAR and pharmacophore studies of pyrimidine derivatives as HCV replication (replicase) inhibitor. Medicinal Chemistry Research, 2015, 24 : 2033-2042. (SCI, IF: 1.402)
6.J Zhang, Y Li*, X Chen, Y Pan, S Zhang, Y Wang. Systems pharmacology dissection of multi-scale mechanisms of action for herbal medicines in stroke treatment and prevention. PLoS ONE, 2014, 9(8): e102506. (SCI, IF: 3.730)
7.M Wu, Y Li*, X Fu, J Wang, S Zhang, L Yang. Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in Silico Method. Int. J. Mol. Sci. 2014, 15, 15475-15502. (SCI, IF: 2.862)
8.Y Li*, H He, J Wang, C Han, J, S Zhang, L Yang. Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods, J Mol Struct 2014, 1074: 294-301 (SCI, IF: 1.602)
9.J Zhang, Y Li*, S Zhang, L Yang. Structural requirements for colchicine binding site-targeted 2-arylthiazolidine-4-carboxylic acid amides derivatives as melanoma antagonists. Med Chem. 2014, 10(3): 277-286 (SCI, IF: 1.496)
10.Y Li*, C Han, J Wang, S Zhang, L Yang. Investigation into the Mechanism of Eucommia ulmoides Oliv. Based on A Systems Pharmacology Approach. J Ethnopharmacol, 2014, 151(1): 452-460. (SCI, IF=2.998)
11.Y Li*, C Han, J Wang, S Zhang, L Yang. Insight into the structural features of pyrazolopyrimidine and pyrazolopyridine-based B-RafV600E kinase inhibitors by computational explorations. Chem Biol & Drug Des. 2013, 83(6): 643-655 (SCI, IF: 2.469)
12.Y Yang, J Wang, Y Li*, S Zhang, L Yang. Structure Determinants of Indolin-2-on-3-spirothiazolidinones as MptpB Inhibitors: An In Silico Study. Soft Matter, 2013, 9: 11054-11077. (SCI, IF=3.909)
13.Y Li*, W Gao, F Li, J Wang, J Zhang, Y Yang, S Zhang, L Yang. An In Silico Exploration of the Interaction Mechanism of Pyrazolo[1,5-a]pyrimidine Type CDK2 Inhibitors. Mol BioSyst. 2013, 9: 2266-2281. (SCI, IF: 3.534)
14.J Wang, F Li, Y Li*, Y Yang, S Zhang, L Yang. Structural features of falcipain-3 inhibitors: an in silico study. Mol BioSyst. 2013, 9(9): 2296-2310. (SCI, IF: 3.534)
15.J Wang, F Li, Y Li*, Y Yang, B Wang, S Zhang, L Yang. Insight into the structural requirements of benzimidazole derivatives as interleukin-2 inducible T-cell kinase inhibitors by computational explorations. Int J Quantum Chem. 2013, 113: 2385-2396 (SCI, EI, IF: 1.357)
16.Q Wu, Q Gao, H Guo, D Li, J Wang, W Gao, C Han, Y Li*, L Yang. Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis. Mol Bio Syst. 2013, 9: 386-397. (SCI, IF: 3.534)
17.J Wang, Y Li*, Y Yang, S Zhang, L Yang. Profiling the structural determinants of heteroarylnitrile scaffold-based derivatives as falcipain-2 inhibitors by in silico methods. Curr Med Chem, 2013, 20(15): 2032-2042 (SCI, IF: 4.859).
18.W Zhou, C Huang, Y Li, J Duan, L Yang. A systematic identification of multiple toxin-target interactions based on chemical, genomic and toxicological data. Toxicology, 2013, 304: 173-184. (SCI, IF: 3.681)
19.Y Li*, M Hao, H Ren, S Zhang, X Wang, Z Ma, G Li, L Yang. Exploring the structure requirement for PKCθ inhibitory activity of pyridinecarbonitrile derivatives: an in-silico analysis. J Mol Graph Model, 2012, 34: 76-88 (SCI, IF: 2.184).
20.Y Li*, W Wu, H Ren, J Wang, S Zhang, G Li, L Yang. ExploringthestructuredeterminantsofpyrazinonederivativesasPDE53HC8 inhibitors: An in silico analysis. J Mol Graph Model, 2012, 34: 76-88 (SCI, IF: 2.184).
21.J Liu, Y Li*, S Zhang, C Ai, Y Yan. Studies of phenylethynyl-pyrrolo[1,2-a]pyrazine as mGluR5 antagonists using 3D-QSAR method. Asian J Chem, 2012, 24(1): 238-248 (SCI, IF: 0.266).
22.J Liu, Y Li*, H Zhang, S Zhang, L Yang. Studies of H4R antagonists using 3D-QSAR, molecular docking and molecular dynamics. J Mol Model, 2012, 18(3): 991-1001. (SCI, IF: 1.797).
23.Z Liu, Y Li*, S Zhang, Y Wang. Structure requirements for 4-Aryl-4H-chromenes as apoptosis inducers using 3D QSAR methods and docking studies. Asian J Chem, 2012, 24(6): 2450-2460. (SCI, IF: 0.266).
24.C Huang, Y Li*, H Ren, J Wang, L Shao, S Zhang, G Li, L Yang. Yang. Insight into the structural determinants of imidazole scaffold-based derivatives as P38 MAP Kinase inhibitors by computational explorations. Curr Med Chem, 2012, 19(23): 4024-4037 (SCI, IF: 4.859).
25.Y Mao, Y Li*, M Hao, S Zhang, C Ai. Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors. J Mol Model, 2012, 18(5):2185-2198. (SCI, IF: 1.797).
26.X Xu, Z Ma,X Wang, Z Xiao, YLi, Za Xue,Y Wang*.Water's potential role: insights from studies of the p53 core domain. J Struct Bio, 2012, 177: 358-366 (SCI, IF: 3.670).
27.H Zhang, Y Li, X Wang, Y Wang*. Probing the Structural Requirements of A-type Aurora Kinase Inhibitors Using 3D-QSAR and Molecular Docking Analysis. J Mol Model. 2012, 18:1107-1122(SCI, IF：1.797).
28.J Wang, F Wang, Z Xiao, G Sheng, Y Li, Y Wang*. Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity, J Mol Model, 2012, 18:2943-2958 (SCI, IF: 1.797).
29.X Xu, X Wang, Z Xiao, Y Li, Y Wang*. Probing the structural and functional link between mutation- and pH-dependent hydration dynamics and amyloidosis of transthyretin. Soft Matter, 2012, 8(2): 324-336 (SCI, IF: 4.390)
30.X Wang, X Xu, W Tao, Y Li, Y Wang*, L Yang. A systems biology approach to uncover pharmacological synergy in herbal medicines with applications to cardiovascular disease. Evid-Based Compl Alt 2012, doi:10.1155/2012/51903 (SCI, IF: 4.774).
31.X Wang, X Xu, Y Li, X Li, W Tao, B Li, Y Wang, L Yang. Systems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication. Integr Biol (Camb)., 2012, Nov 20. (SCI, IF: 4.509) [Epub ahead of print]
32.W Tao, X Xu, X Wang, B Li, Y Wang, Y Li, L Yang. Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease. J Ethnopharmacol. 2012, Nov 6. pii: S0378-8741(12)00727-1. doi: 10.1016/j.jep.2012.09.051. [Epub ahead of print] (SCI, IF: 3.014)
33.Q Li, Y Fang, X Li, H Zhang, M Liu, H Yang, Z Kang, Y Li, Y Wang. Mechanism of the plant cytochrome P450 for herbicide resistance: a modelling study. J Enzyme Inhib Med Chem. 2012, Oct 11. [Epub ahead of print] doi:10.3109/**.2012.719505 (SCI, IF: 1.617)
34.X Li, X Xu, J Wang, H Yu, X Wang, H Yang, H Xu, S Tang, Y Li, L Yang, L Huang, Y Wang, S Yang. A system-level investigation into the mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for cardiovascular disease treatment. PLoS One. 2012;7(9):e43918. (SCI, IF: 4.092)
35.X Xu, W Zhang, C Huang, Y Li, H Yu, Y Wang, J Duan, Y Ling. A novel chemometric method for the prediction of human oral bioavailability. Int J Mol Sci. 2012, 13(6): 6964-6982. (SCI, IF: 2.598)
36.H Yu, J Chen, X Xu, Y Li, H Zhao, Y Fang, X Li, W Zhou, W Wang, Y Wang. A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data. PLoS One. 2012; 7(5): e37608. (SCI, IF: 4.092)
37.X Xu, X Wang, Y Li, Y Wang, L Yang. A large-scale association study for nanoparticle C60 uncovers mechanisms of nanotoxicity disrupting the native conformations of DNA/RNA. Nucleic Acids Res, 2012, 40:7622-7632.(SCI, IF: 8.026)
38.J Liu, M Liu, Y Yao, J Wang, Y Li, G Li, Y Wang. Identification of Novel Potential β-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations. Int J Mol Sci. 2012, 13(4): 4545-4563 (SCI, IF: 2.598)
39.H Zhang, Y Yao, H Yang, X Wang, Z Kang, Y Li, G Li, Y Wang. Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptide/small molecular inhibitor: mechanism for drug resistance. Insect Biochem Mol Biol. 2012, 42(8): 583-595. (SCI, IF: 3.246)
40.Z Ma, Z Xue, H Zhang, Y Li, Y Wang. Local and global effects of Mg2+ on Ago and miRNA-target interactions. J Mol Model. 2012, 18(8): 3769-3781. (SCI, IF: 1.797)
41.F Wang, Z Ma, Y Li, J Wang, Y Wang. Structural requirements of pyrimidine, thienopyridine and ureido thiophene carboxamide-based inhibitors of the checkpoint kinase 1: QSAR, docking, molecular dynamics analysis. J Mol Model. 2012, 18(7): 3227-3242. (SCI, IF: 1.797).
42.X Wang, X Xu, S Zhu, Z Xiao, Z Ma, Y Li, Y Wang. Molecular dynamics simulation of conformational heterogeneity in transportin 1. Proteins. 2012, 80(2): 382–397. (SCI, EI, IF: 3.392)
43.Q Li, X Kong, Z Xiao, L Zhang, F Wang, H Zhang, Y Li, Y Wang. Structural determinants of imidacloprid-based nicotinic acetylcholine receptor inhibitors identified using 3D-QSAR, docking and molecular dynamics. J Mol Model. 2012, 18(6): 2279-2289. (SCI, IF: 1.797).
44.J Wang, F Wang, Z Xiao, G Sheng, Y Li, Y Wang. Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity. J Mol Model. 2012, 18(7): 2943-2958. (SCI, IF: 1.797).
45.F Wang, Y Li, Z Ma, X Wang, Y Wang. Structural determinants of benzodiazepinedione/peptide-based p53-HDM(2) inhibitors using 3D-QSAR, docking and molecular dynamics. J Mol Model, 2012, 18(1): 295-306 (SCI, IF=1.797).
46.H Zhang, Y Li, X Wang, Y Wang. Probing the structural requirements of A-type Aurora kinase inhibitors using 3D-QSAR and molecular docking analysis. J Mol Model. 2012, 18(3): 1107-1122(SCI, IF=1.797).
47.H Zhang, Y Yao, H Yang, X Wang, Z Kang, Y Li, G Li, Y Wang. Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptide/small molecular inhibitor: Mechanism for drug resistance. Insect Biochem Molec, 2012, 42(8): 583-595. (SCI, IF=3.246)
48.P Bao, X Zhang, H Ren, Y Li*, Z Mu, S Zhang, G Li, L Yang. Structural Requirements of N-Substituted Spiropiperidine Analogues as Agonists of Nociceptin/Orphanin FQ Receptor. Int J Mol Sci, 2011, 12: 8961-8981.(SCI, IF: 2.598).
49.M Hao, X Zhang, H Ren, Y Li*, S Zhang, F Luo, M Ji, G Li, L Yang. In silico identification of structure requirement for novel thiazole and oxazole derivatives as potent fructose 1,6-bisphosphatase inhibitors. Int J Mol Sci, 2011, 12:8161-8180. (SCI, IF: 2.598).
50.H Zhang, Y Li*, X Wang, Z Xiao, Y Wang. Insight into the structural requirements of benzothiadiazine scaffold-based derivatives as Hepatitis C Virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics. Curr Med Chem, 2011, 18(26): 4019-4028. (SCI, IF: 4.859).
51.M Hao, Y Li*, Y Wang, Y Yan, S Zhang. Combined 3D-QSAR, molecular docking and molecular dynamics study on piperazinyl-glutamate-pyridines/pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation. J Chem Inf Model, 2011, 51, 2560-2572. (SCI, EI, IF: 4.675).
52.M Hao, Y Li*, Y Wang, S Zhang. Prediction of P2Y12 antagonists using a novel genetic algorithm-support vector machine coulpled approach. Anal Chim Acta, 2011, 690:53-63. (SCI, EI, IF: 4.555).
53.M Zhang, X Zhang, Y Li*, W Fan, Y Wang, M Hao, S Zhang, C Ai. Investigation on quantitative structure activity relationships and pharmacophore modeling of a series of mGluR2 antagonists. Int J Mol Sci, 2011, 12: 5999-6023. (SCI, IF: 2.598).
54.M Hao, Y Li*, H Li, S Zhang. Investigation of the structure requirement for 5-HT6 binding affinity of arylsulfonyl derivatives: a computational study. Int J Mol Sci, 2011, 12: 5011-5030. (SCI, IF: 2.598).
55.M Hao, Y Li*, Y Wang, S Zhang. A classification study of human β3-adrenergic receptor agonists using BCUT descriptors, Mol Divers, 2011, 15(4): 877-887. (SCI, IF: 3.153).
56.M Hao, Y Li*, S Zhang, W Yang. Investigation on the binding mode of benzothiophene analogs as potent factor IXa (FIXa) inhibitors in thrombosis by CoMFA, docking and molecular dynamic studies. J Enzyme Inhib Med Chem, 2011, 26(6):792-804. (SCI, IF: 1.617).
57.J Liu, Y Li*, S Zhang, Z Xiao, C Ai. Studies of new fused benzazepine as selective dopamine D3 receptor antagonists using 3D-QSAR, molecular docking and molecular dynamics. Int J Mol Sci, 2011, 12: 1196-1221. (SCI, IF: 2.598).
58.M Hao, Y Li*, Y Wang, S Zhang. A classification study of respiratory syncytial virus (RSV) inhibitors by variable selection with RF. Int J Mol Sci, 2011, 12: 1259-1280. (SCI, IF: 2.598).
59.Y Yan, Y Li*, S Zhang, C Ai. Studies of tricyclic piperazine/piperidine furnished molecules as novel integrin αvβ3 /αIIbβ3 dual antagonists using 3D-QSAR and molecular docking. J Mol Graph Model, 2011, 29: 747-762. (SCI, EI, IF: 2.184).
60.Y Han, Y Li*, J Liu, Y Wang, S Zhang. Dynamic analysis of feedback loops in extra-cellular signal regulated kinase signal network. J Next Gene Inform Technol, 2011, 2(1): 88-96.
61.Z Xiao, X Wang, X Xu, H Zhang, Y Li, Y Wang*. Base- and Structure-Dependent DNA Dinucleotide-Carbon Nanotube Interactions: Molecular Dynamics Simulations and Thermodynamic Analysis. J Phys Chem C. 2011, 115(44): 21546-21558(SCI, IF: 4.805).
62.X Wang, X Xu, Z Ma, Y Huo, Z Xiao, Y Li, Y Wang*. Dynamic mechanisms for pre-miRNA binding and export by Exportin-5. RNA, 2011, 17: 1511-1528 (SCI, IF: 6.09).
63.W Zhou, Y Li, X Wang, L Wu, Y Wang. MiR-206-mediated dynamic mechanism of the mammalian circadian clock. BMC Syst Biol, 2011, 5:141 (SCI, IF=3.148)
64.F Wang, Z Ma, Y Li, S Zhu, Z Xiao, H Zhang, Y Wang. Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors. J Mol Graph Model. 2011, 30: 67-81. (SCI, IF: 2.184)
65.X Wang, X Xu, Z Ma, Y Huo, Z Xiao, Y Li, Y Wang. Dynamic mechanisms for pre-miRNA binding and export by Exportin-5. RNA. 2011, 17(8): 1511-1128. (SCI, IF=5.095)
66.X Xu, X Wang, Z Xiao, Y Li, Y Wang. Two TPX2-dependent switches control the activity of Aurora A. PLoS One. 2011, 6(2): e16757. (SCI, IF: 4.092)
67.X Xu, W Yang, X Wang, Y Li, Y Wang, C Ai. Dynamic communication between androgen and coactivator: mutually induced conformational perturbations in androgen receptor ligand-binding domain. Proteins. 2011, 79(4): 1154-1171. (SCI, EI, IF: 3.392)
68.H Wang, Y Li, H Huang, X Xu, Y Wang. Toxicity evaluation of single and mixed antifouling biocides using the Strongylocentrotus intermedius sea urchin embryo test. Environ Toxicol Chem. 2011, 30(3): 692-703. (SCI, EI, IF: 2.809)
69.X Xu, X Wang, Y Li, Y Wang, Y Wang. Acute toxicity and synergism of binary mixtures of antifouling biocides with heavy metals to embryos of sea urchin Glyptocidaris crenularis. Hum Exp Toxicol. 2011, 30(8): 1009-1021. (SCI, EI, IF: 1.772)
70.X Xu, Y Li, Y Wang, Y Wang. Assessment of toxic interactions of heavy metals in multi-component mixtures using sea urchin embryo-larval bioassay. Toxicol In Vitro. 2011, 25(1): 294-300. (SCI, EI, IF: 2.775)
71.B Zhang, Y Li*, H Zhang, C Ai. 3D-QSAR and molecular docking studies on derivatives of MK-0457, GSK** and SNS-314 as inhibitors against Aurora B kinase. Int J Mol Sci, 2010, 11: 4326-4347. (SCI, IF: 2.598).
72.M Hao, Y Li*, Y Wang, S Zhang. Prediction of PKCθ inhibitory activity using the random forest algorithm. Int J Mol Sci, 2010, 11: 3413-3433. (SCI, IF: 2.598).
73.Z Wang, Y Li, C Ai, Y Wang. In silico prediction of estrogen receptor subtype binding affinity and selectivity using statistical methods and molecular docking with 2-arylnaphthalenes and 2-arylquinolines. Int J Mol Sci. 2010, 11(9): 3434-3458.(SCI, IF: 2.598)
74.Y Wang, Y Li, Z Ma, W Yang, C Ai. Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis. PLoS Comput Biol. 2010, 6(7): e**. (SCI, IF: 5.215)
75.C Ai, Y Li, Y Wang, W Li, P Dong, G Ge, L Yang. Investigation of binding features: Effects on the interaction between P450 2A6 and inhibitors. J Comput Chem, 2010, 31(9), 1822-1831(SCI, IF: 4.583).
76.X Xu, W Yang, Y Li, Y Wang. Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts. Expert Opin Drug Discov. 2010, 5(1): 21-31. (SCI, IF: 2.116)
77.X Wang, Y Li, X Xue, Y Wang. Toward a system-level understanding of micro RNA pathway via mathematical modeling. BioSystems. 2010, 100(1): 31-38. (SCI, IF: 1.784)
78.X Wang, W Yang, X Xu, H Zhang, Y Li, Y Wang*. Studies of benzothiadiazine derivatives as Hepatitis C Virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics. Curr Med Chem, 2010, 17(25): 2788-2803 (SCI, IF: 4.859).
79.Y Li, Y Wang, J Ding, Y Wang, Y Chang, S Zhang. In silico prediction of androgenic and nonandrogenic compounds using Random Forest. QSAR Comb Sci, 2009, 28(4): 396–405 (SCI, IF: 3.027)
80.C Ai, Y Li, Y Wang, Y Chen, L Yang. Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition. Bioorg Med Chem Lett, 2009, 19(3): 803-806. (SCI, IF: 2.554)
81.G Wang, Y Li, X Liu, Y Wang. Understanding the Aquatic Toxicity of Pesticide: Structure-Activity Relationship and Molecular Descriptors to Distinguish the Ratings of Toxicity. QSAR & Comb Sci, 2009, 28:11-12, 1418 -1431 (SCI, IF: 3.027)
82.X Sun, Y Li, X Liu, J Ding, Y Wang, H Shen, Y Chang. Classification of bioaccumulative and non-bioaccumulative chemicals using statistical learning approaches. Mol Divers, 2008, 12(3-4): 157-169. (SCI, IF: 3.153)
83.Y Wang, Y Li, J Ding, Y Wang, Y Chang. Prediction of binding affinity for estrogen receptorα?modulators using statistical learning approaches. Mol Divers, 2008, 12(2): 93-102. (SCI, IF: 3.153)
84.H Fang, Y Li*, Y Wang, S Zhang. Dynamic model and regulatory mechanism of integrated ERK signal pathway activated by epidermal growth factor. Fourth International Conference on Natural Computation (ICNC’08), IEEE Computer Society. 2008, 2: 348–354 (CPCI-S, EI).
85.C Ai, Y Wang, Y Li, Y Li, L Yang. A 3D-QSAR Study of Catechol-O-methyltransferase Inhibitors using CoMFA and CoMSIA.QSAR Comb Sci, 2008, 27(10): 1183-1192. (SCI, IF: 4.1)
86.Y Wang, Y Li, J Ding, Z Jiang, Y Chang. Estimation of bioconcentration factors using molecular electro-topological state and flexibility. SAR QSAR Environ Res, 2008, 19(3-4): 375-395. (SCI, IF: 2.086)
87.Y Wang, Y Li, B Wang. Stochastic simulations of the cytochrome P450 catalytic cycle. J Phys Chem B. 2007, 111(16): 4251-4260. (SCI, IF: 3.471).
88.Y Wang, Y Li, B Wang. An In Silico Method for Screening Nicotine Derivatives as Cytochrome P450 2A6 Selective Inhibitors Based on Kernel Partial Least Squares. Int J Mol Sci, 2007, 8, 166-179. (SCI, IF: 2.279)
89.Y Li, Y Wang, L Yang, S Zhang, C Liu. Structural determinants of flavones interacting with the C-terminal nucleotide-binding domain as P-glycoprotein inhibitors. Internet Electronic Journal of Molecular Design, 2006, 5(1): 1-12.
90.Y Li, Y Wang, L Yang, S Zhang, C Liu. Impact of molecular hydrophobic field on passive diffusion, P-glycoprotein active efflux, and P-glycoprotein modulation of steroids. Internet Electronic Journal of Molecular Design, 2006, 5(2): 60-78.
91.Y Li, Y Wang, Y Li, L Yang. Prediction of the Deleterious nsSNP in ABCB Transporters. FEBS Letters, 2006, 580(30): 6800-6806. (SCI, IF: 3.538).
92.Y Li, Y Wang, J Sun, Y Li, L Yang. Distribution of the functional MDR1 C3435T polymorphism in the Han population of China. Swiss Med Wkly. 2006, 136(23-24): 377-382 (SCI, IF: 1.895).
93.Y Wang, Y Li, Y Li, X Ma, S Yang, L Yang. Investigations into the analysis and modeling of the cytochrome P450 cycle. J Phys Chem B, 2006, 110(20): 10139–10143 (SCI, IF: 3.471).
94.Y Li, Y Wang, Y Li, L Yang. MDR1 Gene Polymorphisms and Clinical Relevance. Acta Genetica Sinica, 2006, 33 (2): 93-104.
95.Y Li, Y Wang, L Yang, S Zhang, C Liu, S Yang. Comparison of Steroid Substrates and Inhibitors of P-Glycoprotein by 3D-QSAR Analysis. J Mol Struct, 2005, 733: 111-118. (SCI, IF: 1.634)
96.Y Wang, Y Li, S Yang, L Yang. Classification of Substrates and Inhibitors of P-Glycoprotein Using Unsupervised Machine Learning Approach. J Chem Inf Model, 2005, 45: 750-757. (SCI, IF: 4.675)
97.Y Wang, Y Li, S Yang, L Yang. An In Silico Approach for Screening Flavonoids as P-glycoprotein Inhibitors Based on Bayesian-regularized Neural Network. J Comput Aid Mol Des, 2005, 19(3): 137-147. (SCI, IF: 3.386)
98.Y Wang, Y Li, Y Li, S Yang, L Yang. Modeling Km Values Using Electrotopological State: Substrates for Cytochrome P450 3A4-Mediated Metabolism. Bioorg Med Chem Lett, 2005, 15(18): 4076-4084. (SCI, IF: 2.554)


工作成果（奖励、专利等）
2014年 山东省自然科学二等奖 （排名第四）
题目：中医证候物质基础与中药功效分子网络靶点生物系统学解析
2013年 国际风险协会年度最佳论文奖
2013年 辽宁省自然科学学术成果三等奖
2013年 大连市自然科学优秀学术论文三等奖
2013年 校优秀毕业论文指导老师奖
2013年 校优秀班主任
2012年 年度“考核优秀“荣誉称号
2012年 辽宁省自然科学学术成果三等奖
2012年 大连市自然科学优秀学术论文二等奖
2012年 校优秀班主任
2012年 2011年校优秀论文指导老师奖
2011年 辽宁省自然科学学术成果二等奖
2011年 大连市自然科学优秀学术论文三等奖
2011年 2010年校优秀论文指导老师奖
2010年 校教学质量优良奖
2009年 校教学质量优良奖
2006年 辽宁省自然科学学术成果二等奖


在读学生人数
培养硕士8名、辅助培养博士3名

毕业学生人数
硕士6人，博士1人