Renxiao Wang - Publications

Affiliations: 
1994-1999 Chemistry Peking University, Beijing, Beijing Shi, China 

80 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Du Y, Wang R. Revealing the unbinding kinetics and mechanism of Type I and Type II protein kinase inhibitors by local-scaled molecular dynamics simulations. Journal of Chemical Theory and Computation. PMID 32841004 DOI: 10.1021/acs.jctc.0c00342  0.44
2020 Li Y, Gao YD, Holloway MK, Wang R. Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation. Journal of Chemical Information and Modeling. PMID 32401510 DOI: 10.1021/acs.jcim.9b00619  0.84
2020 Li Q, An R, Xu Y, Zhou M, Li Y, Guo C, Wang R. Synthesis of (1,3,4-thiadiazol-2-yl)-acrylamide derivatives as potential antitumor agents against acute leukemia cells. Bioorganic & Medicinal Chemistry Letters. 127114. PMID 32209294 DOI: 10.1016/j.bmcl.2020.127114  0.84
2020 Su M, Feng G, Liu Z, Li Y, Wang R. Tapping on the Black Box: How is the Scoring Power of a Machine-Learning Scoring Function Depended on the Training Set? Journal of Chemical Information and Modeling. PMID 32085675 DOI: 10.1021/acs.jcim.9b00714  0.84
2020 Wang F, Wang C, Liu Y, Lan W, Han H, Wang R, Huang S, Cao C. Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR. Chemical Communications (Cambridge, England). PMID 32025680 DOI: 10.1039/d0cc00221f  0.36
2019 Li Y, Sun Y, Song Y, Dai D, Zhao Z, Zhang Q, Zhong W, Hu LA, Ma Y, Li X, Wang R. A Fragment-Based Computational Method for Designing GPCR Ligands. Journal of Chemical Information and Modeling. PMID 31652060 DOI: 10.1021/acs.jcim.9b00699  0.84
2019 Yang Q, Su M, Li Y, Wang R. Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size. Journal of Chemical Information and Modeling. PMID 31603333 DOI: 10.1021/acs.jcim.9b00214  0.84
2018 Su M, Yang Q, Du Y, Feng G, Liu Z, Li Y, Wang R. Comparative Assessment of Scoring Functions: The CASF-2016 Update. Journal of Chemical Information and Modeling. PMID 30481020 DOI: 10.1021/acs.jcim.8b00545  0.84
2018 Kong W, Zhou M, Li Q, Fan W, Lin H, Wang R. Experimental Characterization of the Binding Affinities between Proapoptotic BH3 Peptides and Antiapoptotic Bcl-2 Proteins. Chemmedchem. PMID 30084216 DOI: 10.1002/cmdc.201800321  0.44
2018 Han L, Yang Q, Liu Z, Li Y, Wang R. Development of a new benchmark for assessing the scoring functions applicable to protein-protein interactions. Future Medicinal Chemistry. PMID 29953245 DOI: 10.4155/fmc-2017-0261  0.84
2018 Wu S, He Y, Qiu X, Yang W, Liu W, Li X, Li Y, Shen HM, Wang R, Yue Z, Zhao Y. Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking. Proceedings of the National Academy of Sciences of the United States of America. PMID 29866835 DOI: 10.1073/pnas.1721173115  0.84
2018 Huang M, Song K, Liu X, Lu S, Shen Q, Wang R, Gao J, Hong Y, Li Q, Ni D, Xu J, Chen G, Zhang J. AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses. Nucleic Acids Research. PMID 29757429 DOI: 10.1093/nar/gky374  0.44
2018 Wu K, Zhao Z, Wang R, Wei GW. TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility. Journal of Computational Chemistry. PMID 29633287 DOI: 10.1002/jcc.25213  0.44
2018 Li Y, Su M, Liu Z, Li J, Liu J, Han L, Wang R. Assessing protein-ligand interaction scoring functions with the CASF-2013 benchmark. Nature Protocols. 13: 666-680. PMID 29517771 DOI: 10.1038/nprot.2017.114  0.84
2017 Liu J, Su M, Liu Z, Li J, Li Y, Wang R. Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints. Bmc Bioinformatics. 18: 343. PMID 28720122 DOI: 10.1186/s12859-017-1750-5  0.84
2017 Zheng S, Xu S, Wang G, Tang Q, Jiang X, Li Z, Xu Y, Wang R, Lin F. Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting its Intrinsic Contribution to Hydrogen-Bonding Strength. Journal of Chemical Information and Modeling. PMID 28570819 DOI: 10.1021/acs.jcim.7b00022  0.36
2017 Jiang Y, Qian F, Yang J, Liu Y, Dong F, Xu C, Sun B, Chen B, Xu X, Li Y, Wang R, Yang S. CRISPR-Cpf1 assisted genome editing of Corynebacterium glutamicum. Nature Communications. 8: 15179. PMID 28469274 DOI: 10.1038/ncomms15179  0.84
2017 Liu Z, Su M, Han L, Liu J, Yang Q, Li Y, Wang R. Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions. Accounts of Chemical Research. PMID 28182403 DOI: 10.1021/acs.accounts.6b00491  0.84
2016 Xu M, Liu C, Zhou M, Li Q, Wang R, Kang J. Screening of Small-Molecule Inhibitors of Protein-Protein Interaction with Capillary Electrophoresis Frontal Analysis. Analytical Chemistry. PMID 27425825 DOI: 10.1021/acs.analchem.6b01430  0.44
2016 Chen W, Li Y, Li J, Wu L, Li Y, Wang R, Deng Z, Zhou J. An unusual UMP C-5 methylase in nucleoside antibiotic polyoxin biosynthesis. Protein & Cell. PMID 27412636 DOI: 10.1007/s13238-016-0289-y  0.84
2016 Zhou M, Li Q, Wang R. Current Experimental Methods for Characterizing Protein-Protein Interactions. Chemmedchem. PMID 26864455 DOI: 10.1002/cmdc.201500495  0.44
2016 Li S, Shen Q, Su M, Liu X, Lu S, Chen Z, Wang R, Zhang J. Alloscore: a tool for predicting allosteric ligand-protein interactions. Bioinformatics (Oxford, England). PMID 26803160 DOI: 10.1093/bioinformatics/btw036  0.84
2016 Li Y, Zhao Z, Liu Z, Su M, Wang RX. AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization. Journal of Chemical Information and Modeling. PMID 26799148 DOI: 10.1021/acs.jcim.5b00691  0.84
2016 Li Y, Yu B, Wang R. Efficient synthesis of rottlerin and its two subunits Tetrahedron Letters. 57: 1856-1859. DOI: 10.1016/j.tetlet.2016.03.049  0.56
2015 Liu Z, Li J, Liu J, Liu Y, Nie W, Han L, Li Y, Wang R. Cross-Mapping of Protein - Ligand Binding Data Between ChEMBL and PDBbind. Molecular Informatics. 34: 568-576. PMID 27490502 DOI: 10.1002/minf.201500010  0.84
2015 Xu X, Chen J, Wang Q, Duan C, Li Y, Wang R, Yang S. Mutagenesis of Key Residues in the Binding Center of l-Aspartate-β-Semialdehyde Dehydrogenase from Escherichia coli Enhances Utilization of the Cofactor NAD(H). Chembiochem : a European Journal of Chemical Biology. PMID 26662025 DOI: 10.1002/cbic.201500534  0.84
2015 Wang X, Zhang C, Yan X, Lan B, Wang J, Wei C, Cao X, Wang R, Yao J, Zhou T, Zhou M, Liu Q, Jiang B, Jiang P, Kesari S, et al. A novel bioavailable BH3 mimetic efficiently inhibits colon cancer via cascade effects of mitochondria. Clinical Cancer Research : An Official Journal of the American Association For Cancer Research. PMID 26515494 DOI: 10.1158/1078-0432.CCR-15-0732  0.44
2015 Liu S, Guo H, Zhang T, Han L, Yao P, Zhang Y, Rong N, Yu Y, Lan W, Wang C, Ding J, Wang R, Liu W, Cao C. Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis. Scientific Reports. 5: 12744. PMID 26244829 DOI: 10.1038/srep12744  0.44
2015 Liu J, Wang R. Classification of current scoring functions. Journal of Chemical Information and Modeling. 55: 475-82. PMID 25647463 DOI: 10.1021/ci500731a  0.36
2015 Liu Z, Li Y, Han L, Li J, Liu J, Zhao Z, Nie W, Liu Y, Wang R. PDB-wide collection of binding data: current status of the PDBbind database. Bioinformatics (Oxford, England). 31: 405-12. PMID 25301850 DOI: 10.1093/bioinformatics/btu626  0.84
2015 Wang S, Zheng Q, Wang J, Zhao Z, Li Q, Yu Y, Wang R, Liu W. Target-oriented design and biosynthesis of thiostrepton-derived thiopeptide antibiotics with improved pharmaceutical properties Organic Chemistry Frontiers. 2: 106-109. DOI: 10.1039/c4qo00288a  0.44
2015 Liu Z, Li J, Liu J, Liu Y, Nie W, Han L, Li Y, Wang R. Cross-Mapping of Protein - Ligand Binding Data between ChEMBL and PDBbind Molecular Informatics. 34: 568-576. DOI: 10.1002/minf.201500010  0.84
2014 Bai LP, Liu J, Han L, Ho HM, Wang R, Jiang ZH. Mass spectrometric studies on effects of counter ions of TMPyP4 on binding to human telomeric DNA and RNA G-quadruplexes. Analytical and Bioanalytical Chemistry. 406: 5455-63. PMID 24939133 DOI: 10.1007/s00216-014-7943-0  0.56
2014 Yang C, Chen S, Zhou M, Li Y, Li Y, Zhang Z, Liu Z, Ba Q, Li J, Wang H, Yan X, Ma D, Wang R. Development of 3-phenyl-N-(2-(3-phenylureido)ethyl)-thiophene-2-sulfonamide compounds as inhibitors of antiapoptotic Bcl-2 family proteins. Chemmedchem. 9: 1436-52. PMID 24782462 DOI: 10.1002/cmdc.201400058  0.84
2014 Li Y, Liu Z, Li J, Han L, Liu J, Zhao Z, Wang R. Comparative assessment of scoring functions on an updated benchmark: 1. Compilation of the test set. Journal of Chemical Information and Modeling. 54: 1700-16. PMID 24716849 DOI: 10.1021/ci500080q  0.84
2014 Li Y, Han L, Liu Z, Wang R. Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results. Journal of Chemical Information and Modeling. 54: 1717-36. PMID 24708446 DOI: 10.1021/ci500081m  0.84
2014 Wu LF, He HY, Pan HX, Han L, Wang R, Tang GL. Characterization of QmnD3/QmnD4 for double bond formation in quartromicin biosynthesis. Organic Letters. 16: 1578-81. PMID 24580034 DOI: 10.1021/ol500111n  0.56
2014 Deng X, Lin F, Zhang Y, Li Y, Zhou L, Lou B, Li Y, Dong J, Ding T, Jiang X, Wang R, Ye D. Identification of small molecule sphingomyelin synthase inhibitors. European Journal of Medicinal Chemistry. 73: 1-7. PMID 24374347 DOI: 10.1016/j.ejmech.2013.12.002  0.56
2013 Ding X, Li Y, Lv L, Zhou M, Han L, Zhang Z, Ba Q, Li J, Wang H, Liu H, Wang R. De novo design, synthesis and evaluation of benzylpiperazine derivatives as highly selective binders of Mcl-1. Chemmedchem. 8: 1986-2014. PMID 24124106 DOI: 10.1002/cmdc.201300316  0.84
2013 Xu Z, Li S, Li J, Li Y, Feng X, Wang R, Xu H, Zhou J. The structural basis of Erwinia rhapontici isomaltulose synthase. Plos One. 8: e74788. PMID 24069347 DOI: 10.1371/journal.pone.0074788  0.56
2013 Li Y, Liu Z, Han L, Li C, Wang R. Mining the characteristic interaction patterns on protein-protein binding interfaces. Journal of Chemical Information and Modeling. 53: 2437-47. PMID 23930922 DOI: 10.1021/ci400241s  0.84
2013 Han L, Wang R. Rise of the selective inhibitors of anti-apoptotic Bcl-2 family proteins. Chemmedchem. 8: 1437-40. PMID 23907935 DOI: 10.1002/cmdc.201300301  0.56
2013 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 modeling. Chemmedchem. 8: 1270-5. PMID 23804289 DOI: 10.1002/cmdc.201300256  0.56
2013 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 for anti-apoptotic Bcl-2 family proteins. Chemmedchem. 8: 1345-52. PMID 23794243 DOI: 10.1002/cmdc.201300159  0.56
2013 Zhou M, Wang R. Small-molecule regulators of autophagy and their potential therapeutic applications. Chemmedchem. 8: 694-707. PMID 23568434 DOI: 10.1002/cmdc.201200560  0.36
2012 Shi Z, Li Y, Liu Z, Mi J, Wang R. Theoretical Analysis of Fas Ligand-Induced Apoptosis with an Ordinary Differential Equation Model. Molecular Informatics. 31: 793-807. PMID 27476734 DOI: 10.1002/minf.201200044  0.84
2011 Lou J, Liu Z, Li Y, Zhou M, Zhang Z, Zheng S, Wang R, 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. 21: 6662-6. PMID 21986587 DOI: 10.1016/j.bmcl.2011.09.061  0.84
2011 Li Y, Zhao Y, Liu Z, Wang R. Automatic tailoring and transplanting: a practical method that makes virtual screening more useful. Journal of Chemical Information and Modeling. 51: 1474-91. PMID 21520918 DOI: 10.1021/ci200036m  0.84
2011 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 thiazolo[3,2-a]pyrimidinone derivatives as general inhibitors of Bcl-2 family proteins. Chemmedchem. 6: 904-21. PMID 21520420 DOI: 10.1002/cmdc.201000484  0.84
2010 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. Molecular Informatics. 29: 87-96. PMID 27463851 DOI: 10.1002/minf.200900003  0.84
2010 Li Y, Liu Z, Wang R. Test MM-PB/SA on true conformational ensembles of protein-ligand complexes. Journal of Chemical Information and Modeling. 50: 1682-92. PMID 20695488 DOI: 10.1021/ci100036a  0.84
2010 Cheng T, Liu Z, Wang R. A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction. Bmc Bioinformatics. 11: 193. PMID 20398404 DOI: 10.1186/1471-2105-11-193  0.56
2010 Cui X, Ge C, Wang R, Wang H, Chen W, Fu Z, Jiang X, Li J, Wang Y. The BUD2 mutation affects plant architecture through altering cytokinin and auxin responses in Arabidopsis. Cell Research. 20: 576-86. PMID 20386573 DOI: 10.1038/cr.2010.51  0.36
2010 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. Bioorganic & Medicinal Chemistry Letters. 20: 2855-8. PMID 20356741 DOI: 10.1016/j.bmcl.2010.03.045  0.56
2010 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. Journal of Computational Chemistry. 31: 2109-25. PMID 20127741 DOI: 10.1002/jcc.21498  0.84
2009 Li Y, Zhou B, Wang R. Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1. Journal of Molecular Graphics & Modelling. 28: 203-19. PMID 19656699 DOI: 10.1016/j.jmgm.2009.07.001  0.84
2009 Lin H, Wang R, Qian Q, Yan M, Meng X, Fu Z, Yan C, Jiang B, Su Z, Li J, Wang Y. DWARF27, an iron-containing protein required for the biosynthesis of strigolactones, regulates rice tiller bud outgrowth. The Plant Cell. 21: 1512-25. PMID 19470589 DOI: 10.1105/tpc.109.065987  0.36
2009 Cheng T, Li X, Li Y, Liu Z, Wang R. Comparative assessment of scoring functions on a diverse test set. Journal of Chemical Information and Modeling. 49: 1079-93. PMID 19358517 DOI: 10.1021/ci9000053  0.84
2008 Liu Z, Wang G, Li Z, Wang R. Geometrical Preferences of the Hydrogen Bonds on Protein-Ligand Binding Interface Derived from Statistical Surveys and Quantum Mechanics Calculations. Journal of Chemical Theory and Computation. 4: 1959-73. PMID 26620338 DOI: 10.1021/ct800267x  0.56
2007 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. Journal of Chemical Information and Modeling. 47: 2140-8. PMID 17985865 DOI: 10.1021/ci700257y  0.84
2007 Tang G, Ding K, Nikolovska-Coleska Z, Yang CY, Qiu S, Shangary S, Wang R, Guo J, Gao W, Meagher J, Stuckey J, Krajewski K, Jiang S, Roller PP, Wang S. Structure-based design of flavonoid compounds as a new class of small-molecule inhibitors of the anti-apoptotic Bcl-2 proteins. Journal of Medicinal Chemistry. 50: 3163-6. PMID 17552510 DOI: 10.1021/jm070383c  0.44
2007 Zhang M, Ling Y, Yang CY, Liu H, Wang R, Wu X, Ding K, Zhu F, Griffith BN, Mohammad RM, Wang S, Yang D. A novel Bcl-2 small molecule inhibitor 4-(3-methoxy-phenylsulfannyl)-7-nitro-benzofurazan-3-oxide (MNB)-induced apoptosis in leukemia cells. Annals of Hematology. 86: 471-81. PMID 17396262 DOI: 10.1007/s00277-007-0288-4  0.44
2007 Tang G, Yang CY, Nikolovska-Coleska Z, Guo J, Qiu S, Wang R, Gao W, Wang G, Stuckey J, Krajewski K, Jiang S, Roller PP, Wang S. Pyrogallol-based molecules as potent inhibitors of the antiapoptotic Bcl-2 proteins. Journal of Medicinal Chemistry. 50: 1723-6. PMID 17378545 DOI: 10.1021/jm061400l  0.44
2007 Wang R, Lin F, Xu Y, Cheng T. I-SOLV: a new surface-based empirical model for computing solvation free energies. Journal of Molecular Graphics & Modelling. 26: 368-77. PMID 17317248 DOI: 10.1016/j.jmgm.2007.01.006  0.36
2007 Lu Y, Wang R, Yang CY, Wang S. Analysis of ligand-bound water molecules in high-resolution crystal structures of protein-ligand complexes. Journal of Chemical Information and Modeling. 47: 668-75. PMID 17266298 DOI: 10.1021/ci6003527  0.44
2006 Wang G, Nikolovska-Coleska Z, Yang CY, Wang R, Tang G, Guo J, Shangary S, Qiu S, Gao W, Yang D, Meagher J, Stuckey J, Krajewski K, Jiang S, Roller PP, et al. Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins. Journal of Medicinal Chemistry. 49: 6139-42. PMID 17034116 DOI: 10.1021/jm060460o  0.44
2006 Yang CY, Wang R, Wang S. M-score: a knowledge-based potential scoring function accounting for protein atom mobility. Journal of Medicinal Chemistry. 49: 5903-11. PMID 17004706 DOI: 10.1021/jm050043w  0.44
2006 Xu Y, Wang R. A computational analysis of the binding affinities of FKBP12 inhibitors using the MM-PB/SA method. Proteins. 64: 1058-68. PMID 16838311 DOI: 10.1002/prot.21044  0.36
2006 Ma D, Jiang Y, Chen F, Gong LK, 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 gamma-keto carboxylic acids. Journal of Medicinal Chemistry. 49: 456-8. PMID 16420030 DOI: 10.1021/jm051101g  0.36
2006 Zhu Y, Nomura T, Xu Y, Zhang Y, Peng Y, Mao B, Hanada A, Zhou H, Wang R, Li P, Zhu X, Mander LN, Kamiya Y, Yamaguchi S, He Z. ELONGATED UPPERMOST INTERNODE encodes a cytochrome P450 monooxygenase that epoxidizes gibberellins in a novel deactivation reaction in rice. The Plant Cell. 18: 442-56. PMID 16399803 DOI: 10.1105/tpc.105.038455  0.36
2005 Yang CY, Wang R, Wang S. A systematic analysis of the effect of small-molecule binding on protein flexibility of the ligand-binding sites. Journal of Medicinal Chemistry. 48: 5648-50. PMID 16134931 DOI: 10.1021/jm050276n  0.44
2005 Wang R, Fang X, Lu Y, Yang CY, Wang S. The PDBbind database: methodologies and updates. Journal of Medicinal Chemistry. 48: 4111-9. PMID 15943484 DOI: 10.1021/jm048957q  0.44
2005 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. Proceedings of the National Academy of Sciences of the United States of America. 102: 4700-5. PMID 15781862 DOI: 10.1073/pnas.0409894102  0.44
2004 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. Journal of Chemical Information and Computer Sciences. 44: 2114-25. PMID 15554682 DOI: 10.1021/ci049733j  0.44
2004 Real PJ, Cao Y, Wang R, Nikolovska-Coleska Z, Sanz-Ortiz J, Wang S, Fernandez-Luna JL. Breast cancer cells can evade apoptosis-mediated selective killing by a novel small molecule inhibitor of Bcl-2. Cancer Research. 64: 7947-53. PMID 15520201 DOI: 10.1158/0008-5472.CAN-04-0945  0.44
2004 Nikolovska-Coleska Z, Wang R, Fang X, Pan H, Tomita Y, Li P, Roller PP, Krajewski K, Saito NG, Stuckey JA, Wang S. Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization. Analytical Biochemistry. 332: 261-73. PMID 15325294 DOI: 10.1016/j.ab.2004.05.055  0.44
2004 Wang R, Fang X, Lu Y, Wang S. The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. Journal of Medicinal Chemistry. 47: 2977-80. PMID 15163179 DOI: 10.1021/jm030580l  0.44
2004 Nikolovska-Coleska Z, Xu L, Hu Z, Tomita Y, Li P, Roller PP, Wang R, Fang X, Guo R, Zhang M, Lippman ME, 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. Journal of Medicinal Chemistry. 47: 2430-40. PMID 15115387 DOI: 10.1021/jm030420+  0.44
2003 Wang R, Lu Y, Wang S. Comparative evaluation of 11 scoring functions for molecular docking. Journal of Medicinal Chemistry. 46: 2287-303. PMID 12773034 DOI: 10.1021/jm0203783  0.44
2002 Wang R, Lai L, Wang S. Further development and validation of empirical scoring functions for structure-based binding affinity prediction. Journal of Computer-Aided Molecular Design. 16: 11-26. PMID 12197663  0.44
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