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Wang Renxiao's main thesis
List of papers published since 2000

1. week; Li; Li; Xu; Zhang; Zhou, male; Zhang, x; Liu; Zhou; Cao; Yu, bachelor; * Wang, R., * Discovery and development of thiazolo [3,2-a] pyrimidine derivatives as general inhibitors of Bcl-2 family proteins, Chemical Medicine, 20 1 1, 6,904–921.

2. Li; Zhao; Automatic cutting and transplanting: a practical method to make virtual screening more useful, journal of chemistry Inf。 Model. , 20 1 1, 5 1, 1474– 149 1.

3. Zhang; Lin, female; Deng Xiaodong, Wang, Wang Ruixiang, Ye, Ding Yuying, Molecular simulation of three-dimensional structure of human sphingomyelin synthase, Chinese Journal of Chemistry. 20 1 1, in print.

4. Li; Liu; Wang, "MM-PB/SA test of true conformational integrity of protein-ligand complex", Journal of Chemistry. Inf。 Model: 20 10/0,50, 1682- 1692.

5. Lin, female; Wang, "Systematic derivation of amber force field parameters suitable for zinc", Journal of Chemistry. Theoretical calculation. 20 10, 6, 1852- 1870.

6. Cheng; Liu; Wang, R.*, "A knowledge-based strategy to improve the accuracy of scoring function in binding affinity prediction", BMC Bioinformatics, 20 10,1,193-208.

7. Li; Li; Cheng; Liu; Wang, R.*, "Performance evaluation of four molecular docking procedures on a set of different protein-ligand complexes", J. Comp. Chemistry. 20 10, 3 1, 2 109-2 125.

8. stone; Zhou; Li; Stone, clock; Yu, B. *; Synthesis and antitumor activity of Wang, R.*, methyl -2-O- aryl -6-O- aryl' -D- glucopyranoside. Medicine. Chemistry. Ritter. , 20 10, 20, 2855-2858.

9. Li; Liu; Li; Li; Li; Wang, "Statistical Study on Binding Constants of Covalently Binding protein-Ligand Complexes", Molecular. Informatics, 20 10, 29, 87-96.

10. Zheng; Lin, female; Wang; Synthesis and conformation analysis of D-2- deoxy -2,2- difluoro -4- dihydro -4- thionucleoside. Biomolecules. Chemistry. , 20 10, 8, 163- 170.

1 1. Lin, female; Wang, "Study on Hemolytic Mechanism of Dioscin by Molecular Dynamics Simulation", Journal of Molecular Biology. Model: 20 10, 16, 107- 1 18.

12. Cheng; Li; Li; Liu; Wang, R.* "Comparative evaluation of scoring functions on different test sets", Journal of Chemistry. Inf。 Model. 2009, 49, 1079- 1093.

13. Zhang, x; Li; Wang, R.* "Explaining the binding affinity of PTP 1B inhibitors by MM-GB/SA method and X-Score scoring function", Journal of Chemistry. Inf。 Model. April, 2009,1033-1048. (cover story)

14. Li; Zhou; Wang, R.* "Rational design of Tamiflu derivatives targeting neuraminidase subtype 1 open conformation", Journal of Molecular Biology. Charts. Model. 2009, 28, 203-2 19.

15. Li; Wang, R.* "Automatic Recognition of Antibodies in Protein Database", China Chemistry, 2009, 27, 23-28.

16. Wang; Wu Yusheng; Wang; Wang; Ginger; Fu; Li, Zhu Zhendong, hydrogen-bonded folded zinc porphyrin -C60 molecular pair: ideal face-to-face orientation and adjustable donor-acceptor interaction, tetrahedron, 2009,65,7718–7729.

17. Zhu; Wang; Wang; Intramolecular six-membered and three-center C-H-O hydrogen bonds of 1, 4- diphenyl-1, 2,3-triazole. Grow Des. , 2009, 9, 4778–4783.

18. Liu Zhenguo; Wang; Li; Wang, R.* "Geometric preference of hydrogen bonds at protein-ligand interface from statistical investigation and quantum mechanics calculation", Journal of Chemistry. Theoretical calculation. 2008, 4, 1959– 1973.

19. Lin, female; Wang, R. * "Molecular simulation of1r three-dimensional structure and its interaction with several agonists", Journal of Molecular Biology. Model. 2008, 15, 53-65.

20. Cai; Wang; Du; Wang; Ginger; "Folded organic gel: circular dichroism study of glucose-mediated dynamic helix induction and amplification", American Medical Journal. Chemistry. Socialist 2008,130,13450–13459.

2 1. Yang Angle; Vashni; Wang; Zhang y; Ye Daier; Jiang, Xie Chunhua, "Domain responsible for sphingomyelin synthase (SMS) activity", Journal of Biochemistry and Biophysics-Molecular and Cell Biology of Lipids, 2008, 178 1 617.

22. Cheng; Zhao; Li; Lin, female; Xu; Zhang, x; Li; Wang; Calculation of octanol-water partition coefficient with knowledge-guided additive model, journal of chemistry Inf。 Model. 2007, 47, 2 140-2 148.

23.zhao; Cheng; Wang, "Automatic Sensing of Organic Molecules Based on Basic Structural Information", Journal of Chemistry. Inf。 Model. 2007, 47, 1379- 1385.

24. Wang; Lin, female; Xu; Cheng, "I-Solv: A New Surface-based Empirical Model for Calculating Solvation Free Energy", Acta Molecular. Charts. Model. 2007, 26, 368-377.

25. Feng; Wang ..-t; Wu; Wang; Li, Zheng Zhendong, "Sandwich Complexation Mode of Bis (zinc) Porphyrin Receptor Driven by Hydrogen Bond with Neutral and Cationic Electron-deficient Guests", Tetrahedral Communication 2007,48,6181-6185.

26. Li; Wang; Easy; Ginger; Li, Z. *; Wang, R.* "Enantiomeric Recognition of Chiral Glucose by Chiral Folders Receptors", Organic. Ritter. 2007, 9, 1797- 1800.

27. Horse, D. *; Yu; Li; Chen; Chen; Yu; Zhang; Chen; Dr. Zhong; Gong; Wang; Ginger; Synthesis and biological evaluation of 1, 3,3,4-tetrasubstituted pyrrolidine CCR5 receptor antagonist. Discovery of an effective oral bioavailable anti-HIV drug ",Chemical Medicine, February, 2007, 187- 193.

28. Tang; Ding; Nikolovska-Kolska, Z; Yang Zhenyu; Qiu; Shangari, S. Wang; Guo; High; Meagher,j。 Stucky, J. Clager Laski, K. Ginger; Drum, page 1; Structure-based design of flavonoids anti-apoptosis protein Bcl-2 small molecule inhibitor, medical journal. Chemistry. 2007, 50, 3 163-3 166.

29. Tang; Yang Zhenyu; Nikolovska-Kolska, Z; Guo; Qiu; Wang; High; Wang; Stucky, J. Clager Laski, K. Ginger; Drum, page 1; Molecules based on pyrogallol as effective inhibitors of anti-apoptotic protein Bcl-2, medical journal. Chemistry. 2007, 50, 1723- 1726.

30. land; Wang; Yang Zhenyu; Wang, S.* "Analysis of ligand-bound water molecules in high-resolution crystal structure of protein-ligand complex". Doctor of chemistry. Inf。 Model. 2007, 47, 668-675.

3 1. Zhang Ming Dow; Ling; Yang Zhenyu; Liu; Wang; Wu; Ding; Zhu, female; Griffith; Muhammad; Wang, S.M. *; 4-(3- methoxy-phenylthio) -7- nitro-benzofurazan -3- oxide (MNB), a novel small molecule inhibitor of Bcl-2, induces apoptosis of leukemia cells. Yearbook. Hematology, 2007,86,471-481.

32.xu; Wang, R.* "Calculation and Analysis of Binding Affinity of FKBP 12 Inhibitor by MM-PB/SA Method", protein, 2006,64, 1058- 1068.

33. Yu; Pu, x; Cheng; Wang; Ma, D.* "Total Synthesis of Clavulvomycins A and B and Pictamin", Org. Letter 2006,8,3179-3182.

34. Horse, D. *; Ginger; Chen; Gong; Ding; Xu; Wang; Ge, a; Ren; Li; Li; Ye, Q. "Selective inhibition of matrix metalloproteinase isoenzymes and protective effect of substituted ketocarboxylic acids on emphysema in vivo", medical journal. Chemistry. 2006, 49, 456-458.

35. Wang; Nikolovska-Kolska Company; Yang Zhenyu; Wang; Tang; Guo; Shangari, S. Qiu; High; Dr. Yang; Meagher,j。 Stucky, J. Clager Laski, K. Ginger; Drum, page 1; Abaan, Ministry of Health; Tomita, y; Structure-based design of small molecular inhibitors of Bcl-2 protein, medical journal. Chemistry. , 2006, 49, 6 139-6 142.

Yang Zhenyu; Wang; Wang, S. * "M-Score: A Knowledge-based Potential Score Function for protein Atomic Mobility", Medical Journal. Chemistry. 2006, 49, 5903-59 1 1.

37. Wang; Party, x; Land; Yang Zhenyu; Wang, S. * "PDBBind Database: Methods and Updates", Medical Journal. Chemistry. 2005, 48, 4 1 1 1-4 1 19.

Yang Zhenyu; Wang; Systematic analysis of the effect of small molecule binding on protein elasticity of ligand binding sites, Journal of Medicine. Chemistry 2005,48,5648-5650.

39. Song; Wang; Wang; The low molecular weight compounds found by virtual database screening inhibit the function of Stat3 in breast cancer cells. Naturally. Akkad Sci。 2005, 102, 4700-4705.

40. Wang; Lu y; Fang Shi; Wang S.* "Extensive Testing of 14 Scoring Function Using 800 protein-ligand Complexes", Journal of Chemistry. Inf。 Computer. Sci。 2004, 44, 2 1 14-2 125.

4 1. Royal P.J. Cao; Wang; Nikolovska-Kolska Z; Sans Ortiz J. Wang; Fernandez-Luna J. L.* "Breast cancer cells can escape apoptosis-mediated selective killing through a novel small molecule inhibitor of Bcl-2", Cancer Research, 2004, 64, 7947-7953.

42. Wang; Party, x; Land; Wang, S. * "PDBBind Database: Collection of Binding Affinity of protein-ligand Complexes with Known Three-dimensional Structures", Medical Journal. Chemistry. 2004, 47, 2977-2980.

43. Nikolovska Kolska, Z; Wang; Fang X, Wang, S. * "Establishment and optimization of fluorescence polarization binding analysis method for Bir 3 domain", Analytical Biochemistry 2004, 332, 26 1-273.

44. Nikolovska Kolska, Z; Xu; Hu; Tomita, y; Li; Drum, page 1; Wang; Party, x; Guo; Zhang, male; Lippmann, MD; Dr. Yang; Wang, S.* "Through the structure-based calculation and screening of the three-dimensional structure database of traditional Chinese herbal medicines, okadainin as a small molecular weight inhibitor of cell permeability was found", medical journal. Chemistry 2004, 47, 2430-2440.

45. high; Wang; Lai, L.* "protein-protein Interface Analysis Method Based on Structure", Journal of Molecular Biology. Model 2004, 10, 44-54.

46. Wang; Land; Wang, S.* "Comparative evaluation of eleven molecular docking scoring functions", MD. Chemistry. 2003, 46, 2287-2303.

47. Leach Company; Wang; Wo hirt Company; Sweat; Jung, doctor of medicine; Houk, K. N.* "Theoretical explanation of kinetic and thermodynamic control of regioselectivity of free radical addition", American journal. Chemistry. Socialist 2003,125,4271-4278.

48. Wang; Lai; Wang, S.* "Further development and verification of empirical scoring function based on structural binding affinity prediction", chinese journal of computers. -Auxiliary Moore. Des. 2002, 16, 1 1-26.

49. High; Wang; A new method for analyzing protein-protein interaction interface, Journal of Physics. China Academy of Sciences 2002,18,676-679.

50. Wang; What is the role of consensus score in virtual library screening? An idealized experiment. " Inf。 Computer. Sci。 200 1, 4 1, 1422- 1426.

5 1. Rong; Hu; Enyedi Island; Powys g. Meuillet,E. J。 Wu, X; Wang; Wang; Molecular simulation of Akt PH domain and its interaction with inositol phosphate, medical journal. Chemistry. 200 1, 44, 898-908.

52. Chen; Wang; Taussig, Master; Houk, K. N.* "Quantitative calculation of antibody-antigen binding: steroid -DB3 binding energy by linear interaction energy method", j.org. Chemistry. 200 1, 66, 302 1-3026.

53.liu; Feng; Wang; High; Lai, L.* "Quinoline -4- acetamide as sPLAB2B inhibitor", Bioorgan. & Medicine. Chemistry. Ritter. 200 1, 1 1, 1639- 164 1.

54.liu; Feng; High; Wang; Lai, L.* "Design and Synthesis of Novel Quinoline Secretory PLA(2) Inhibitors Based on Structure", Acta Physica Sinica. Sinica 200 1,59, 175 1- 1755。

55. Chen; Deng; Wang; Houk,k . n . *; Hilvert, D.* Shape Complementarity, Binding Site Dynamics and Transition State Stability: Theoretical Study on Diels-Alder Catalysis by Antibody 1E9, ChemBioChem 2000, 1, 255-26 1.

56. Wang; High; LigBuilder: A multipurpose program for drug design based on structure. Model. 2000, 6, 498-5 16.

57. Wang; High; Calculation of partition coefficient by atomic additive process, drug discovery and development prospect. Design. 2000, 19, 47-66.