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姓名:王任小(RenXiao Wang)
职务:博士生导师 研究员
E-mail:wangrx@mail.sioc.ac.cn
电话:021-54925128
传真:0.00
点击数:9285

课题组网站:http://www.sioc-ccbg.ac.cn

研究员,课题组长,博士生导师
中国科学院上海有机化学研究所,生命有机化学国家重点实验室
上海市徐汇区零陵路345号,邮编200032
电话:021-54925128
E-mail: wangrx@mail.sioc.ac.cn

    本人参加科研以来一直从事分子靶向药物设计方面的研究,尤其擅长发展分子靶向药物设计中的关键方法,工作具有很强的创新性和系统性,代表工作有X-Score、XLOGP、AT&T软件和PDBbind数据库。这些成果与国际上同类工作相比具有较高的水平,自公开发布以来在世界各地三十多个国家拥有4000余名注册用户,其中许多来自国际著名的大学、研究所以及大型医药公司,形成了广泛的国际影响。除了在理论方法方面的建树之外,本人亦注重在实践中应用分子靶向药物设计,近年来领导课题组综合运用分子设计、化学合成以及生物学研究手段,针对重要生物靶标最终成功获得了多种活性化合物。

    本人已在J. Chem. Inf. Model., J. Chem. Theor. Comput., J. Med. Chem.等国际国内核心刊物上发表学术论文70余篇,截止至2012年12月底发表论文合计被引用达3500余次,H指数为28。近年来以第一发明人身份申请国家发明专利和计算机软件著作权合计17项。本课题组目前主要从事药物分子设计以及化学生物学方面的研究工作,承担和参与多项自然科学基金委、科技部、中科院以及上海市科委项目。

主要研究方向                                                                   
 以分子模拟为手段研究生物大分子的结构和功能以及有机小分子与生物大分子的相互作用;研究和发展分子靶向药物设计中的关键理论和方法。

 选择与重大疾病过程相关的生物大分子为靶标,综合运用分子模拟、化学合成以及生物学实验,发展可以有效调控生物靶标活性的有机小分子化合物。

教育背景及工作经历                                                                   
 2005年8月至今:中国科学院上海有机化学研究所,“百人计划”研究员,课题组长,博士生导师
 2001年9月至2005年7月:美国密西根大学(University of Michigan),Research Investigator
 2000年9月至2001年8月:美国乔治敦大学(Georgetown University),博士后
 1999年9月至2000年8月:美国加州大学洛杉矶分校(University of California Los Angeles),博士后
 1994年9月至1999年8月:北京大学化学学院物理化学研究所,理学博士,导师:唐有祺院士。
 1989年9月至1994年8月:北京大学化学学院,理学学士,导师:来鲁华教授。

主要获奖情况                                                               
 国际化学信息学及定量构效关系研究学会(Chemoinformatics & QSAR Society)"Cowin Hansch Award" (2012年)
 药明康德“生命化学研究奖”(2010年)
 SCOPUS“青年科学之星”(2010年)
 中国药学会-施维雅青年药物化学家奖(2009年)
 明治乳业生命科学奖(2009年)
 Eli Lilly公司亚洲优秀毕业研究生导师奖(2009年)
 上海市科委“浦江人才”奖(2006年)
 中国科学院“百人计划”择优支持(2006年)
 美国Cap CURE癌症基金会Young Investigator Award(2001年)
 中国教育部“全国优秀博士学位论文”奖(2001年)

主要学术任职                                                                   
 中国化学会及中国药学会高级会员,中国化学会生物物理化学专业委员会委员
 国际刊物ChemMedChem编委,Molecular Informatics顾问编委,Perspectives in Drug Design and Discovery顾问编委

承担科研项目情况                                                                   
 作为项目负责人目前承担有:自然科学基金委面上项目(项目编号21072213,2011-2013),自然科学基金委面上项目(项目编号81172984,2012-2015),自然科学基金委青年基金(项目编号21002117,2011-2013),自然科学基金委青年基金(项目编号21102168,2012-2014),自然科学基金委青年基金(项目编号21102165,2012-2014)。

 作为项目骨干目前参与的科研项目主要有:国家863高技术研究发展计划(项目编号2012AA020308,2012-2015),自然科学基金委创新群体(项目编号20921091,2010-2012)。

发表论文清单              

1.  Zhao, Z.; Zhang, Z.; Li, Y.; Zhou, M.; Li, X.; Yu, B.; Wang, R.,* "Probing the Key Interactions Between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modelling", ChemMedChem, 2013, in press.
2.  Xu, Y.; Zhou, M.; Li, Y.; Li, C.; Zhang, Z.; Yu, B*; Wang, R.,* "Characterization of the Stereochemical Structures of 2H- thiazolo[3,2-a]-Pyrimidine Compounds and Their Binding Affinities to Anti-Apoptotic Bcl-2 Family Proteins", ChemMedChem, 2013, in press.
3.  Shi, Z. M.; Li, Y.; Liu, Z. H.; Mi, J.; Wang, R.,* "Theoretical Analysis of Fas Ligand-Induced Apoptosis with an Ordinary Differential Equation Model", Molecular Informatics, 2012, 13(11-12), 793-807.
4.  Duan, B. G.; Li, Y.; Li, J. Cheng, T. J. Wang, R.,* "An Empirical Additive Model for Aqueous Solubility Computation: Success and Limitations", Acta Phys.-Chim. Sin.(物理化学学报), 2012, 28 (10), 2249-2257.
5.  Xu, H.; Huang, W.; He, Q.-L.; Zhao, Z.-X.; Zhang, F.; Wang, R.,* Kang, J.-W.; Tang, G.-L. "Self-Resistance to an Antitumor Antibiotic: A DNA Glycosylase Triggers the Base-Excision Repair System in Yatakemycin Biosynthesis", Angew. Chem. Int. Ed. , 2012, 51(42), 10532-10536.
6.  Mi, X. W.; Wang, Y.; Zhu, L. L.; Wang, R.,* Hong, R. "Enantioselective Synthesis of (–)-Stemoamide", Synthesis, 2012, 44, 3432-3440.
7.  Li, Y.; Zhao, Y.; Liu, Z.; Wang, R.,* "Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful", J. Chem. Inf. Model., , 2012, 51, 1474-1491.
8.  Zhou, B.; Li, X.; Li, Y.; Xu, Y.; Zhang, Z.; Zhou, M; Zhang, X.; Liu, Z.; Zhou, J.; Cao, C.; Yu, B.;* Wang, R.,* "Discovery and Development of 2H-thiazolo[3,2-a]pyrimidine Derivatives as General Inhibitors of Bcl-2 Family Proteins", ChemMedChem, 2011, 6, 904–921.
9.  Li, Y.; Zhao, Y.; Wang, R.* "Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful", J. Chem. Inf. Model., 2011, 51, 1474–1491.
10.  Zhang, Y.; Lin, F.; Deng, X.-D., Wang, R.-X.*, Ye, D.-Y.*, Molecular Modeling of the Three-Dimensional Structure of Human Sphingomyelin Synthase, Chinese J. Chem. 2011, in press.
11.  Li, Y.; Liu, Z.; Wang, R.*, “Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes”, J. Chem. Inf. Model. 2010, 50, 1682-1692.
12.  Lin, F.; Wang, R.*, “Systematic Derivation of AMBER Force Field Parameters Applicable to Zinc”, J. Chem. Theory Comput. 2010, 6, 1852-1870.
13.  Cheng, T.; Liu, Z.; Wang, R.*, “A Knowledge-Based Strategy for Improving the Accuracy of Scoring Functions in Binding Affinity Prediction”, BMC Bioinformatics, 2010, 11, 193-208.
14.  Li, X.; Li, Y.; Cheng, T.; Liu, Z.; Wang, R.*, “Evaluation of the Performance of Four Molecular Docking Programs on a Diverse Set of Protein-Ligand Complexes”, J. Comp. Chem. 2010, 31, 2109-2125.
15.  Shi, H.; Zhou, B.; Li, W.; Shi, Z.; Yu, B.*; Wang, R.*, "Synthesis and Anti-tumor Activities of Methyl 2-O-Aryl-6-O-Aryl'-D- Glucopyranosides", Bioorg. Med. Chem. Lett., 2010, 20, 2855-2858.
16.  Li, X.; Liu, Z.; Li, Y.; Li, J.; Li, J.; Wang, R.*, “A Statistical Survey on the Binding Constants of Covalently Bound Protein-Ligand Complexes”, Mol. Informatics, 2010, 29,87-96.
17.    Zheng, F.; Lin, F.; Wang, R.; Qing, F.-L. “Synthesis and conformational analysis of D-2-deoxy-2,2-difluoro-4-dihydro-4 -thionucleosides”, Org. Biomol. Chem., 2010, 8, 163-170.
18.    Lin, F.; Wang, R.* “Hemolytic Mechanism of Dioscin Proposed by Molecular Dynamics Simulations”, J. Mol. Model. 2010, 16, 107-118.
19.    Cheng, T.; Li, X.; Li, Y.; Liu, Z.; Wang, R.* “Comparative Assessment of Scoring Functions on a Diverse Test Set”, J. Chem. Inf. Model. 2009, 49, 1079-1093.
20.    Zhang, X.; Li, X.; Wang, R.* “Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA method and the X-Score Scoring Function”, J. Chem. Inf. Model. 2009, 49, 1033-1048. (cover story)
21.    Li, Y.; Zhou, B.; Wang, R.* “Rational Design of Tamiflu Derivatives Targeting at the Open Conformation of Neuraminidase Subtype 1”, J. Mol. Graph. Model. 2009, 28, 203-219.
22.    Li, X.; Wang, R.* “Automatic Identification of Antibodies in the Protein Data Bank”, Chinese Journal of Chemistry, 2009, 27, 23-28.
23.    Wang, K.; Wu, Y.-S.; Wang, G.-T.; Wang, R.-X.; Jiang, X.-K.; Fu, H.-B.; Li, Z.-T., "Hydrogen bonding-mediated foldamer- bridged zinc porphyrin-C60 dyads: ideal face-to-face orientation and tunable donor–acceptor interaction", Tetrahedron, 2009, 65, 7718–7729.
24.    Zhu, Y.-Y.; Wang, G.-T.; Wang, R.-X.; Li, Z.-T. "Intramolecular Six-Membered and Three-Center C-H-O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles", Cryst. Growth Des., 2009, 9, 4778–4783.
25.    Liu, Z. G.; Wang, G. T.; Li, Z. T.; Wang, R.* “Geometrical Preferences of the Hydrogen Bonds on Protein-Ligand Binding Interface Derived from Statistical Surveys and Quantum Mechanics Calculations”, J. Chem. Theory Comput. 2008, 4, 1959–1973.
26.    Lin, F.; Wang, R.* “Molecular modeling of the three-dimensional structure of GLP-1R and its interactions with several agonists”, J. Mol. Model. 2008, 15, 53-65.
27.    Cai, W.; Wang, G. T.; Du, P.; Wang, R. X.; Jiang, X. K.; Li, Z.T.* “Foldamer Organogels: A Circular Dichroism Study of Glucose-Mediated Dynamic Helicity Induction and Amplification”, J. Am. Chem. Soc. 2008, 130, 13450–13459.
28.    Yeang, C.; Varshney, S.; Wang, R.; Zhang Y.; Ye D.Y.; Jiang, X. C.* “The domain responsible for sphingomyelin synthase (SMS) activity”, Biochimica et Biophysica Acta-Molecular and Cell Biology of Lipids, 2008, 1781, 610-617.
29.    Cheng, T.; Zhao, Y.; Li, X.; Lin, F.; Xu, Y.; Zhang, X.; Li, Y.; Wang, R.*; Lai, L. “Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge”, J. Chem. Inf. Model. 2007, 47, 2140-2148.
30.    Zhao, Y.; Cheng, T.; Wang, R.* “Automatic Perception of Organic Molecules Based on Essential Structural Information”, J. Chem. Inf. Model. 2007, 47, 1379-1385.
31.    Wang, R.*; Lin, F.; Xu, Y.; Cheng, T. “I-SOLV: A new surface-based empirical model for computing solvation free energies”, J. Mol. Graph. Model. 2007, 26, 368-377.
32.    Feng, D.-J.; Wang, G..-T.; Wu, J.; Wang, R.-X.; Li, Z.-T.* “Hydrogen bonding-driven elastic bis(zinc)porphyrin receptors for neutral and cationic electron-deficient guests with a sandwich-styled complexing pattern”, Tetrahedron Lett. 2007, 48, 6181-6185.
33.    Li, C.; Wang, G.; Yi, H.; Jiang, X.; Li, Z.*;Wang, R.* “Diastereomeric Recognition of Chiral Foldamer Receptors for Chiral Glucoses”, Org. Lett. 2007, 9, 1797-1800.
34.    Ma, D.*; Yu, S.; Li, B.; Chen, L.; Chen, R.; Yu, K.; Zhang, L.; Chen, Z.; Zhong, D.; Gong, Z.; Wang, R.; Jiang, H.; Pei, G. “Synthesis and Biological Evaluation of 1,3,3,4-Tetrasubstituted Pyrrolidine CCR5 Receptor Antagonists. Discovery of a Potent and Orally Bioavailable Anti-HIV Agent”, ChemMedChem, 2007, 2, 187-193.
35.    Tang, G.; Ding, K.; Nikolovska-Coleska, Z.; Yang, C.-Y.; Qiu, S.; Shangary, S.; Wang, R.; Guo, J.; Gao, W.; Meagher, J.; Stuckey, J.; Krajewski, K.; Jiang, S.; Roller, P. P.; Wang, S.* “Structure-Based Design of Flavonoid Compounds As a New Class of Small-Molecule Inhibitors of the Anti-apoptotic Bcl-2 Proteins”, J. Med. Chem. 2007, 50, 3163-3166.
36.    Tang, G.-Z.; Yang, C.-Y.; Nikolovska-Coleska, Z.; Guo, J.; Qiu, S.; Wang, R. X.; Gao, W.; Wang, G.-P.; Stuckey, J.; Krajewski, K.; Jiang, S.; Roller, P. P.; Wang, S. M.* “Pyrogallol-based molecules as potent inhibitors of the antiapoptotic Bcl-2 proteins”, J. Med. Chem. 2007, 50, 1723-1726.
37.    Lu, Y.; Wang, R.; Yang, C.-Y.; Wang, S.* “Analysis of ligand-bound water molecules in high-resolution crystal structures of protein-ligand complexes”. J. Chem. Inf. Model. 2007, 47, 668-675.
38.    Zhang M.C.; Ling, Y.; Yang, C.-Y.; Liu, H. P.; Wang, R. X.; Wu, X. H.; Ding, K.; Zhu, F.; Griffith, B. N.; Mohammad, R. M.; Wang, S. M.*; Yang, D. J. “A novel Bcl-2 small molecule inhibitor 4-(3-methoxy-phenylsulfannyl)-7-nitro-benzofurazan-3-oxide (MNB)-induced apoptosis in leukemia cells”. Annals. Hematology, 2007, 86, 471-481.
39.    Xu, Y.; Wang, R.* “A Computational Analysis of the Binding Affinities of FKBP12 Inhibitors Using the MM-PB/SA Method”, Proteins, 2006, 64, 1058-1068.
40.    Yu, S.; Pu, X.; Cheng, T.; Wang, R.; Ma, D.* “Total Synthesis of Clavepictines A and B and Pictamine”, Org. Lett. 2006, 8, 3179-3182.
41.    Ma, D.*; Jiang, Y.; Chen, F.; Gong, L.-k.; Ding, K.; Xu, Y.; Wang, R.; Ge, A.; Ren, J.; Li, J.; Li, J.; Ye, Q. “Selective Inhibition of Matrix Metalloproteinase Isozymes and in Vivo Protection against Emphysema by Substituted -Keto Carboxylic Acids”, J. Med. Chem. 2006, 49, 456-458.
42.    Wang, G.; Nikolovska-Coleska, Z.; Yang, C.-Y.; Wang, R.; Tang, G.; Guo, J.; Shangary, S.; Qiu, S.; Gao, W.; Yang, D.; Meagher, J.; Stuckey, J.; Krajewski, K.; Jiang, S.; Roller, P. P.; Abaan, H. O.; Tomita, Y.; Wang, S.* “Structure-Based Design of Potent Small-Molecule Inhibitors of Anti-Apoptotic Bcl-2 Proteins”, J. Med. Chem., 2006, 49, 6139-6142.
43.    Yang, C.-Y.; Wang, R.; Wang, S.* “M-Score: A Knowledge-Based Potential Scoring Function Accounting for Protein Atom Mobility”, J. Med. Chem. 2006, 49, 5903-5911.
44.    Wang, R.; Fang, X.; Lu, Y.; Yang, C.-Y.; Wang, S.* “The PDBbind Database: Methodologies and Updates”, J. Med. Chem. 2005, 48, 4111-4119.
45.    Yang, C.-Y.; Wang, R.; Wang, S.* “A Systematic Analysis of the Effect of Small-Molecule Binding on Protein Flexibility of the Ligand-Binding Sites”, J. Med. Chem. 2005, 48, 5648-5650.
46.    Song, H.; Wang, R.; Wang, S; Lin, J.* “A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells”, Proc. Natl. Acad. Sci. 2005, 102, 4700-4705.
47.    Wang R.; Lu Y.; Fang X.; Wang S.* “An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes”, J. Chem. Inf. Comput. Sci. 2004, 44, 2114-2125.
48.    Real P. J.; Cao, Y.; Wang R.; Nikolovska-Coleska Z.; Sanz-Ortiz J.; Wang S.; Fernandez-Luna J. L.* “Breast cancer cells can evade apoptosis-mediated selective killing by a novel small molecule inhibitor of Bcl-2”, Cancer Research, 2004, 64, 7947-7953.
49.    Wang, R.; Fang, X.; Lu, Y.; Wang, S.* “The PDBbind Database: Collection of Binding Affinities for Protein-Ligand Complexes with Known Three-Dimensional Structures”, J. Med. Chem. 2004, 47, 2977-2980.
50.    Nikolovska-Coleska, Z.; Wang, R.; Fang X, Wang, S.* “Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization”, Analytical Biochemistry 2004, 332, 261-273.
51.    Nikolovska-Coleska, Z.; Xu, L.; Hu, Z.; Tomita, Y.; Li, P.; Roller, P. P.; Wang, R.; Fang, X.; Guo, R.; Zhang, M.; Lippman, M. E.; Yang, D.; Wang, S.* “Discovery of Embelin as a Cell-Permeable, Small-Molecular Weight Inhibitor of XIAP through Structure-Based Computational Screening of a Traditional Herbal Medicine Three-Dimensional Structure Database”, J. Med. Chem. 2004, 47,2430-2440.
52.    Gao, Y.; Wang, R.; Lai, L.* “Structure-based method for analyzing protein-protein interfaces”, J. Mol. Model. 2004, 10, 44-54.
53.    Wang, R.; Lu, Y.; Wang, S.* “Comparative Evaluation of Eleven Scoring Functions for Molecular Docking”, J. Med. Chem. 2003, 46, 2287-2303.
54.    Leach, A. G.; Wang, R.; Wohlhieter, G. E.; Khan, S. I.; Jung, M. E.; Houk, K. N.* “Theoretical Elucidation of Kinetic and Thermodynamic Control of Radical Addition Regioselectivity”, J. Am. Chem. Soc. 2003, 125, 4271-4278.
55.    Wang, R.; Lai, L.; Wang, S.* “Further development and validation of empirical scoring functions for structure-based binding affinity prediction”, J. Comput.-Aided Mol. Des. 2002, 16, 11-26.
56.    Gao, Y.; Wang, R.; Lai, L.* “New method to analyze protein-protein interaction interface”, Acta Phys.-Chim. Sinica 2002, 18, 676-679.
57.    Wang, R.; Wang, S.* “How does consensus scoring work for virtual library screening? An idealized experiment”, J. Chem. Inf. Comput. Sci. 2001, 41, 1422-1426.
58.    Rong, S.; Hu, Y.; Enyedy, I.; Powis, G.; Meuillet, E. J.; Wu, X.; Wang, R.; Wang, S.*; Kozikowski, A. P. “Molecular Modeling Studies of the Akt PH Domain and Its Interaction with Phosphoinositides”, J. Med. Chem. 2001, 44, 898-908.
59.    Chen, J.; Wang, R.; Taussig, M.; Houk, K. N.* “Quantitative Calculation of Antibody-Antigen Binding: Steroid-DB3 Binding Energies by the Linear Interaction Energy Method”, J. Org. Chem. 2001, 66, 3021-3026.
60.    Liu, Y.; Feng, Y.; Wang, R.; Gao, Y.; Lai, L.* “Quinoline-4-acetamides as sPLAB2B Inhibitors”, Bioorgan. & Med. Chem. Lett. 2001, 11, 1639-1641.
61.    Liu, Y.; Feng, Y.; Gao, Y.; Wang, R.; Lai, L.* “Structure-based design and synthesis of novel type quinoline as secretory PLA(2) inhibitors”, Acta Phys.-Chim. Sinica 2001, 59, 1751-1755.
62.    Chen, J.; Deng, Q.; Wang, R.; Houk, K. N.*; Hilvert, D.* "Shape Complementarity, Binding Site Dynamics, and Transition State Stabilization: A Theoretical Study of Diels-Alder Catalysis by Antibody 1E9", ChemBioChem 2000, 1, 255-261.
63.    Wang, R.; Gao, Y.; Lai, L.* "LigBuilder: A Multiple-Purposed Program for Structure-Based Drug Design", J. Mol. Model. 2000, 6, 498-516.
64.    Wang, R.; Gao, Y.; Lai, L.* "Calculating Partition Coefficients by Atom-Additive Method", Perspective in Drug Discovery & Design. 2000, 19, 47-66.
65.    Li, W.; Liang, S.; Wang, R.; Lai, L.*; Han, Y. "Exploring the Conformational Diversity of Loops on Conserved Frameworks", Protein Eng. 1999, 12, 1075-1086.
66.    Tao, P.; Wang, R.; Lai, L*. "Calculating Partition Coefficients of Peptides by the Addition Method", J. Mol. Model. 1999, 5, 189-195.
67.    Tao, P.; Wang, R.; Lai, L*. "Calculating Partition Coefficients of Peptides by Amino Acid Addition Model", Acta Phys.-Chim. Sinica, 1999, 15, 449-453.
68.    Zhu, B.*; Zhang, P.; Wang, R.; Liu, Z.; Lai, L. “Phase separation and crystallization in mixed monolayers of FC and HC surfactants”, Colloids & Surfaces A 1999, 157, 63-71.
69.    Wang, R.; Liu, L.; Lai, L.*; Tang, Y. "SCORE: A New Empirical Method for Structure-Based Estimation of Binding Affinities", J. Mol. Model. 1998, 4, 379-394.
70.    Wang, R.; Gao, Y.; Liu, L.; Lai, L.* "All-Orientation Search and All-Placement Search in Comparative Molecular Field Analysis", J. Mol. Model., 1998, 4, 276-283.
71.    Wang, R.; Li, W.; Lai, L.*; Tang, Y. "Estimating the Binding Affinities for Enzyme-Ligand Complexes", Acta Phys.-Chim. Sinica, 1998, 14, 826-832.
72.    Wang, R.; Liu, L.; Lai, L.*; Tang, Y. "Studying the Structure-Affinity Relationship of Thrombin Inhibitors", Acta Phys.-Chim. Sinica, 1998, 14, 887-892.
73.    Wang, R.; Feng, Y.; Lai, L.*; Tang, Y. "Studying the Structure-Affinity Relationship of Indole-Based Inhibitors for Phospholipase A2", Acta Phys.-Chim. Sinica, 1998, 14, 893-897.
74.    Wang, R.; Gao, Y.; Liu, L.; Lai, L.* "Role of Compound Orientation in CoMFA Studies", Acta Phys.-Chim. Sinica, 1998, 14, 1-4.
75.    Wang, R.; Fu, Y.; Lai, L.* "A New Atom-Additive Method for Calculating Partition Coefficients", J. Chem. Inf. Comput. Sci., 1997, 37, 615-621.
76.    Liu, L.; Wang, R.; Lai, L.*; Li, C.* "3D-QSAR and Pharmacophore Modeling of Growth Hormone Secretagogues", Acta Phys.-Chim. Sinica, 1997, 13, 1090-1096.
77.    Wang, R.; Fu, Y.; Lai, L.* "A New Method for Calculating Partition Coefficients of Organic Compounds", Acta Phys.-Chim. Sinica, 1997, 13, 1-4.
78.    Luo, Z.; Wang, R.; Lai, L.* "RASSE: A new Method for Structure-Based Drug Design", J. Chem. Inf. Comput. Sci., 1996, 36, 1187-1194.
79.    Lai, L.*; Wang, R.; Tang, Y. "A New Model for Calculating logP for Organic Compounds", Acta Phys.-Chim. Sinica, 1994, 10, 963-965.
 
发表综述论文清单
1.  Zhou, M.; Wang, R.* "Small-Molecule Regulators of Autophagy and Their Potential Therapeutic Applications", ChemMedChem, 2013, 8, 694-707.
2.  Wang, Y.; Li, J.; Wang, R.* "Computational Approaches to Estimate Octanol-Water Partition Coefficient and Water Solubility of Organic Compounds", Acta Phys.-Chim. Sinica (物理化学学报), 2010,26, 1742-1754
3.  Li, Y.; Wang, R.* “Theoretical approaches to the prediction of the biological targets of small-molecular compounds based on chemogenomic information”, Chinese Bulletin of Life Sciences (生命科学), 2009, 21, 400-407.
 
近期发明专利申请清单                                                            
1.  王任小,马大为,李勋,孙威,周炳城,石志敏,张兴龙,朱翠侠,李雯雯,中科院上海有机化学研究所,“一种噻唑联吡唑酮类化合物及其作为Bcl-2家族蛋白拮抗剂的应用”, 专利申请号:200810041909.6,专利申请日:2008年8月;专利授权号:ZL 2008-1-0041909.6,授权公告日:2011年1月。
2.  王任小,俞飚,李勋,周炳城,石志敏,张兴龙,朱翠侠,李雯雯,中科院上海有机化学研究所,“一种噻唑并[3,2-a]嘧啶类化合物及其作为Bcl-2家族蛋白拮抗剂的应用”,专利申请号:200810041907.7;专利申请日:2008年8月;专利授权号:ZL 2008-1-0041907.7,授权公告日:2011年4月。
3.  王任小,俞飚,史合方,李勋,周炳城,李嫣,石志敏,张兴龙,朱翠侠,李雯雯,中科院上海有机化学研究所,“2-芳基-6-芳基’-葡萄糖苷类化合物及其制备方法与应用”,专利申请号:200810041908.1,专利申请日:2008年8月;专利授权号:ZL 2008-1-0041908.1,授权公告日:2011年12月。
4.  叶德泳,王任小,张亚,林赋,邓晓东,李勋,周璐,郑雪雁. 复旦大学药学院,“芳香胺类衍生物或其类似物及其应用”,专利申请号:200910194423.0,专利申请日:2009年8月。
5.  王任小,李剑,刘真,楼江平,张政希,周宓,郑庶,中科院上海有机化学研究所(第一申请单位),华东理工大学(第二申请单位),“N’-芳亚甲基-2-(4-氧代噻吩[2,3-d]嘧啶-3-基)乙酰腙类化合物及其制备方法和用途”,专利申请号201110326269.5,专利申请日:2011年10月。
6.  王任小,俞飚,周炳城,刘真,中科院上海有机化学研究所,“一种葡萄糖苷类化合物的制备方法与应用”,专利申请号201110334935.X,专利申请日:2011年10月。
7.  王任小,王慧,马大为,杨成文,刘真,巴乾,李井泉,张政希,周宓,李嫣,中科院上海有机化学研究所(第一申请单位),中国科学院上海生命科学研究院(第二申请单位),“苯基唑环取代酰胺类化合物及其制备方法和用途”,专利申请号201210129577.3,专利申请日:2012-05。
8.  王任小,王慧,马大为,杨成文,刘真,巴乾,李井泉,张政希,周宓,李嫣,中科院上海有机化学研究所(第一申请单位),中国科学院上海生命科学研究院(第二申请单位),“苯基噻吩磺酰胺类化合物及其制备方法和用途”,专利申请号201210179644.2,专利申请日:2012-06-01。
 
近期计算机软件著作权申请清单                                                    
1.  中科院上海有机化学研究所,化学结构自动识别软件I-interpret v1.0,登记号:2007SR15399.
2.  中科院上海有机化学研究所,脂水分配系数预测软件XLOGP v3.0,登记号:2008SR05200.
3.  中科院上海有机化学研究所,蛋白-配体复合物亲合性PDBbind-CN数据库系统 v2008,登记号:2008SR34921.
4.  中科院上海有机化学研究所,分子设计ITMD软件 v1.0,登记号:2008SR34922.
5.  中科院上海有机化学研究所,蛋白-配体亲合性预测X-SCORE软件 v2.0,登记号:2008SR34923.
6.  中科院上海有机化学研究所,先导化合物的发现及结构优化软件AT&T v1.0,登记号:2009SR061028.
7.  中科院上海有机化学研究所,CCBG-CMS化合物管理系统软件v1.0,登记号:2009SR061029.
8.  中科院上海有机化学研究所,XLOGS特性水溶解度预测软件v1.0,登记号:2011SR073860.
9.  中科院上海有机化学研究所,PDBminer蛋白质结构数据库处理与信息挖掘软件,登记号:2011SR089385.


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