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发表论文总览

 

2017年

 

 

1. Liu, Zhihai; Su, Minyi; Han, Li; Liu, Jie; Yang, Qifan; Li, Yan; Wang, Renxiao *, "Forging the Basis of Scoring Function Development", Accounts of Chemical Research, 2017, 50 (2): pp 302-309. [Full Text]

 

2. Liu, Jie; Su, Minyi; Liu, Zhihai; Li, Jie; Li, Yan; Wang, Renxiao *, "Enhance the Performance of Current Scoring Functions with the Aid of 3D Protein-Ligand Interaction Fingerprints", BMC Bioinformatics., 2017, In review.

 

3. Yan Li, Minyi Su, Zhihai Liu, Jie Li, Jie Liu, Li Han, Renxiao Wang *, "Assessing Protein-Ligand Interaction Scoring Functions with the CASF-2013 Benchmark", Nature Protocols, 2017, In review.

 

 

2016年

 

 

1. Yan Li, Zhixiong Zhao, Zhihai Liu and Renxiao Wang *, "AutoT&T v2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization", J. Chem. Inf. Model., 2016, 56(2), pp: 435-453. [Full Text]

 

2. Mi Zhou, Qing Li and Renxiao Wang *, "Current Experimental Methods for Characterizing Protein–Protein Interactions", ChemMedChem, 2016, 11(8), pp: 738-756. [Full Text]

 

3. Li, Y.-F.; Yu, B.; Wang, R.-X. *, "Efficient synthesis of rottlerin and its two subunits", Tetrahedron Lett., 2016, 57, 1856-1859. [Full Text]

 

4. Xu, M.; Liu, C.; Zhou, M.; Li, Q.; Wang, R. X.*; Kang, J. W.*, "Screening of Small-Molecule Inhibitors of Protein–Protein Interaction with Capillary Electrophoresis Frontal Analysis", Anal. Chem., 2016, 88(16), 8050-8057. [Full Text]

 

5. Chen, S.-G.; Zhao, Z.-X.; Jiang, X. N.; Wang, L.; Zhou, T.-Y.; Lu, C.; Zhao, X.;* Jiang, X.-K.; Ma, Y.-G.; Wang, R.-X.;* Li, Z.-T.*, "Temperature-Responsive Chiral (A)6B Supramolecular Cages Based on Conformational Preferences", Chem. Asian J., 2016, 11(4), 465-469. [Full Text]

 

6. Xu, X.-S.; Chen, J.; Wang, Q.-Z.; Duan, C. L.; Li, Y.; Wang, R.-X.; Yang, S., "Mutagenesis of Key Residues in the Binding Center of l-Aspartate-b-Semialdehyde Dehydrogenase from Escherichia coli Enhances Utilization of the Cofactor NAD(H)", ChemBioChem, 2016, 17(1), 56-64. [Full Text]

 

7. Chen, W.-Q.; Li, Y.; Li, J.; Wu, L.; Li, Y.; Wang, R.-X.; Deng, Z.-X.; Zhou, J.-H., "An unusual UMP C-5 methylase in nucleoside antibiotic polyoxin biosynthesis", Protein & Cell, 2016, 7(9), 673-683. [Full Text]

 

8. Li, S.; Shen, Q.-C.; Su, M.-Y.; Liu, X.-Y.; Lu, S.-Y.; Chen, Z.-J.; Wang, R.-X.; Zhang, J., "Alloscore: a method for predicting allosteric ligand-protein interactions", Bioinformatics, 2016, 32(10), 1574-1576. [Full Text]

 

9. Wang, X.-F.; Zhang, C.; Yan, X.-M.; Lan, B.; Wang, J.-Y.; Wei, C.-Y.; Cao, X.-X.; Wang, R.-X.; Zhou, T.; Zhou, M.; Liu, Q.-L.; Jiang, B.; Jiang, P.-F.; Kesari, S.; Lin, X.-J.; Guo, F., "A Novel Bioavailable BH3 Mimetic Efficiently Inhibits Colon Cancer via Cascade Effects of Mitochondria", Clinical Cancer Res., 2016, 22(6), 1445-1458. [Full Text]

 

10. Qing Li, Mi Zhou, Renxiao Wang*, "Small-Molecule Regulators of Autophagy as Potential Anti-cancer Therapy", Book chapter in Targeting Autophagy in Cancer Therapy, 2016, pp. 39-58. ISBN 978-3-319-42738-6, Springer. ed. Prof. Jin-Ming Yang. [Full Text]

 

2015年

 

 

1. Zhihai Liu, Yan Li, Li Han, Jie Li, Jie Liu, Zhixiong Zhao, Wei Nie, Yuchen Liu and Renxiao Wang *, "PDB-wide Collection of Binding Data: Current Status of the PDBbind Database ", Bioinformatics, 2015, 31 (3): 405-412. [Full Text]

 

2. Jie Liu and Renxiao Wang *, "Classification of Current Scoring Functions", J. Chem. Inf. Model. 2015,  55, 475-482. [Full Text]

 

3. Yang-Feng Li, Biao Yu, Jian-Song Sun, Renxiao Wang *, "Efficient synthesis of baicalin and its analogs", Tetrahedron Letters. 2015,  56 (24), 3816-3819. [Full Text]

 

4. Zhihai Liu, Jie Li, Jie Liu, Yuchen Liu, Wei Nie, Han Li, Yan Li and Renxiao Wang *, "Cross-Mapping of Protein-Ligand Binding Data between ChEMBL and PDBbind", Molecular Informatics, 2015, 34 (8): 568-576. [Full Text]

 

5. Zhihai Liu, Jie Li, Li Han, Yan Li, Jie Liu, Wei Nie, Yuchen Liu and Renxiao Wang *, "Open access databases in the field of drug discovery ", Scientia Sinica Chimica, 2015, Vol. 45 (8): 765-776. [Full Text]

 

6. Zhihai Liu, Jie Li, Li Han, Yan Li * and Renxiao Wang *, "Construction of Evaluation System for Drug-Target Scoring Functions", Scientia Sinica Chimica, 2015, 45(9): 949-960. [Full Text]

 

 

2014年

 

 

1. Dr. Chengwen Yang, Sha Chen, Mi Zhou, Dr. Yan Li, Yangfeng Li, Zhengxi Zhang, Dr. Zhen Liu, Dr. Qian Ba, Dr. Jingquan Li, Prof. Hui Wang, Prof. Xiaomei Yang,*, Prof. Dawei Ma,* and Prof. Renxiao Wang *, "Development of 3-Phenyl-N-(2-(3-phenylureido)ethyl)-thiophene-2-sulfonamide Compounds as Inhibitors of Antiapoptotic Bcl-2 Family Proteins ", ChemMedChem, 2014, 9 (7), pp 1436-1452. [Full Text]

 

2. Li, Yan; Liu, Zhihai; Li, Jie; Han, Li; Liu, Jie; Zhao, Zhi-Xiong; Wang, Renxiao *, "Comparative Assessment of Scoring Functions on an Updated Benchmark: I. Compilation of the Test Set", J. Chem. Inf. Model.. 2014, 54 (6), pp 1700-1716. [Full Text]

 

3. Li, Yan; Han, Li; Liu, Zhihai; Wang, Renxiao *, "Comparative Assessment of Scoring Functions on an Updated Benchmark: II. Evaluation Methods and General Results", J. Chem. Inf. Model.2014, 54 (6), pp 1717-1736. [Full Text]

 

4. Li-Ping Bai, Jie Liu, Li Han, Hing-Man Ho, Wang, Renxiao and Zhi-Hong Jiang *, "Mass spectrometric studies on effects of counter ions of TMPyP4 on binding to human telomeric DNA and RNA G-quadruplexes", Anal Bioanal Chem.2014, 406(22): 5455-5463. [Full Text]

 

 

2013年

 

 

1. Yan Li, Zhihai Liu, Li Han, Chengke Li, Renxiao Wang *, "Mining the Characteristic Interaction Patterns on Protein–Protein Binding Interfaces", J. Chem. Inf. Model., 2013, Vol. 53 (9), pp 2437-2447. [Full Text]

 

2. Xiao Ding, Yan Li, Li Lv, Mi Zhou, Li Han, Zhengxi Zhang, Qian Ba, Jingquan Li, Hui Wang, Hong Liu, Renxiao Wang *, "De Novo Design, Synthesis and Evaluation of Benzylpiperazine Derivatives as Highly Selective Binders of Mcl-1", ChemMedChem. 2013, Vol. 8, pp. 1986-2014. [Full Text]

 

3. Renxiao Wang *, Special Issue of "Medicinal Chemistry", CHINESE JOURNAL OF CHEMISTRY. 2013, Vol. 31, pp. 1115. [Full Text]

 

4. Shicheng Shi, Li Han, Mi Zhou, Yangfeng Li, Zhen Liu, Biao Yu, Renxiao Wang *, "Synthesis of 4-(2-Phenylhydrazono)-1-(4-phenylthiazol-2- yl)-1H-pyrazol-5(4H)-one Compounds and Characterization of Their Affinities to Anti-apoptotic Bcl-2 Family Proteins", CHINESE JOURNAL OF CHEMISTRY. 2013, Vol. 31, pp. 1133-1138. [Full Text]

 

5. Li Han, Renxiao Wang *, "Rise of the Selective Inhibitors of Anti-Apoptotic Bcl-2 Family Proteins", ChemMedChem. 2013, Vol. 8, pp. 1437-1440. [Full Text]

 

6. Zhixiong Zhao, Zhengxi Zhang, Yan Li, Mi Zhou, Xun Li, Biao Yu, Renxiao Wang *, "Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling", ChemMedChem. 2013, Vol. 8, pp. 1270-1275. [Full Text]

 

7. Yaochun Xu, Mi Zhou, Yan Li, Chengke Li, Zhengxi Zhang, Biao Yu, Renxiao Wang *, "Characterization of the Stereochemical Structures of 2H- Thiazolo[3,2-a]pyrimidine Compounds and Their Binding Affinities for Anti-apoptotic Bcl-2 Family Proteins", ChemMedChem. 2013, Vol. 8, pp. 1345-1352. [Full Text]

 

8. Mi Zhou, Renxiao Wang *, "Small-Molecule Regulators of Autophagy and Their Potential Therapeutic Applications", ChemMedChem. 2013, Vol. 8, pp. 694-707. [Full Text]

 

 

2012年

 

 

1. Zhimin Shi, Yan Li, Zhihai Liu, Jun Mi, Renxiao Wang* "Theoretical Analysis of Fas Ligand-Induced Apoptosis with an Ordinary Differential Equation Model", Molecular Informatics. 2012, Vol. 31, pp. 793-807. [Full Text]

 

2. Duan Bao-Gen, Li Yan, Li Jie, Cheng Tie-Jun, Renxiao Wang * "An Empirical Additive Model for Aqueous Solubility Computation: Success and Limitations", Acta Phys.-Chim. Sin. . 2012, Vol. 28(10), pp. 2249-2257. [Full Text]

 

3. Hui Xu, Wei Huang, Qing-Li He, Zhi-Xiong Zhao, Feng Zhang, Renxiao Wang, Jingwu Kang, Gong-Li Tang,* "Self-Resistance to an Antitumor Antibiotic: A DNA Glycosylase Triggers the Base-Excision Repair System in Yatakemycin Biosynthesis", Angew. Chem.-Int. Edit.. 2012, Volume 51(42), pages 10532-10536. [Full Text]

 

4. Xianwei Mi, Yan Wang, Lili Zhua, Renxiao Wang;, Ran Hong*; "Enantioselective Synthesis of (-)-Stemoamide", Synthesis. 2012, Volume 44, Issue 22, pages 3432-3440. [Full Text]

 

 

2011年

 

 

1. Yan Li, Yuan Zhao, Zhihai Liu, Renxiao Wang* "Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful", J. Chem. Inf. Model. 2011, 51 (6), pp 1474-1491. [Full Text]

 

2. Bingcheng Zhou, Xun Li, Yan Li, Yaochun Xu, Zhengxi Zhang, Mi Zhou, Xinglong Zhang, Zhen Liu, Jiahai Zhou, Chunyang Cao, Biao Yu, Renxiao Wang* "Discovery and Development of Thiazolo[3,2-a]pyrimidinone Derivatives as General Inhibitors of Bcl-2 Family Proteins", Chem. Med. Chem.. 2011, Vol. 6, Issue 5, pp. 904-921. [Full Text]

 

3. Ya Zhang, Fu Lin, Xiaodong Deng, Renxiao Wang* , Deyong Ye, "Molecular Modeling of the Three-Dimensional Structure of Human Sphingomyelin Synthase", Chinese Journal of Chemistry. 2011, Volume 29, Issue 8, pages 1567-1575. [Full Text]

 

4. Lou, JP; Liu, Z; Li, Y; Zhou, M; Zhang, ZX; Zheng, S; Wang, RX;* Li, J; "Synthesis and anti-tumor activities of N "-benzylidene-2-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazone derivatives", Bioorganic & Medicinal Chemistry Letters. 2011, Volume 21, Issue 22, pages 6662-6666. [Full Text]

 

 

2010年

 

 

1. 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. [Full Text]

 

2. Lin, F.; Wang, R.* "Systematic Derivation of AMBER Force Field Parameters Applicable to Zinc", J. Chem. Theory Comput.. 2010, 6, 1852-1870. [Full Text]

 

3. 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. [Full Text]

 

4. 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. [Full Text]

 

5. 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. [Full Text]

 

6. 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. [Full Text]

 

7. Lin, F.; Wang, R. X.* "Hemolytic Mechanism of Dioscin Proposed by Molecular Dynamics Simulations", J. Mol. Model. 2010, 16, 107-118. [Full Text]

 

8. Zheng, F.; Lin, F.; Wang, R. X.;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. [Full Text]

 

 

 

2009年

 

 

1. Cheng, T.; Li, X.; Li, Y.; Liu, Z.; Wang, R. X.* "Comparative Assessment of Scoring Functions on a Diverse Test Set", J. Chem. Inf. Model. 2009, 49, 1079-1093. [Full Text]

 

2. Zhang, X.; Li, X.; Wang, R. X.* "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) [Full Text]

 

3. Li, Y.; Zhou, B.; Wang, R. X.* "Rational Design of Tamiflu Derivatives Targeting at the Open Conformation of Neuraminidase Subtype 1", J. Mol. Graph. Model. 2009, 28, 203-219. [Full Text]

 

4. Li, X.; Wang, R. X.* "Automatic Identification of Antibodies in the Protein Data Bank", Chinese Journal of Chemistry. 2009, 27, 23-28. [Full Text]

 

5. Li, Y.; Wang, R. X.* "Theoretical approaches to the prediction of the biological targets of small-molecular compounds based on chemogenomic information", Chinese Bulletin of Life Sciences. 2009, 21, 400-407. [Full Text]

 

6. 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 donorCacceptor interacion", Tetrahedron. 2009, 65, 7718-7729. [Full Text]

 

7. 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", Tetrahedron. 2009, 9, 4778-4783. [Full Text]

 

 

 

 

2008年

 

 

1. Liu, Z. G.; Wang, G. T.; Li, Z. T.; Wang, R. X.* "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. [Full Text]

 

2. Lin, F.; Wang, R. X.* "Molecular modeling of the three-dimensional structure of GLP-1R and its interactions with several agonists", J. Mol. Model. 2008, 15, 53-65. [Full Text]

 

3. 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. [Full Text]

 

4. Yeang, C.; Varshney, S.; Wang, R. X.; 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. [Full Text]

 

 

 

 

2007年

 

 

1. 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. [Full Text]

 

2. Zhao, Y.; Cheng, T.; Wang, R.* "Automatic Perception of Organic Molecules Based on Essential Structural Information", J. Chem. Inf. Model. 2007, 47, 1379-1385. [Full Text]

 

3. 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. [Full Text]

 

4. 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. [Full Text]

 

5. Li, C.; Wang, G.; Yi, H.; Jiang, X.; Li, Z.*; Wang, R. X.* "Diastereomeric Recognition of Chiral Foldamer Receptors for Chiral Glucoses", Org. Lett. 2007, 9, 1797-1800. [Full Text]

 

6. 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. [Full Text]

 

 

 

 

2006年

 

 

1. 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. [Full Text]

 

2. 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. [Full Text]

 

3. 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. [Full Text]