| Year |
Citation |
Score |
| 2023 |
Li Y, Zhang Z, Wang R. HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials. Journal of Chemical Information and Modeling. PMID 37433022 DOI: 10.1021/acs.jcim.3c00408 |
0.335 |
|
| 2022 |
Liu H, Su M, Lin HX, Wang R, Li Y. Public Data Set of Protein-Ligand Dissociation Kinetic Constants for Quantitative Structure-Kinetics Relationship Studies. Acs Omega. 7: 18985-18996. PMID 35694511 DOI: 10.1021/acsomega.2c02156 |
0.312 |
|
| 2021 |
Zhang S, Liu YQ, Jia C, Lim YJ, Feng G, Xu E, Long H, Kimura Y, Tao Y, Zhao C, Wang C, Liu Z, Hu JJ, Ma MR, Liu Z, ... ... Wang R, et al. Mechanistic basis for receptor-mediated pathological α-synuclein fibril cell-to-cell transmission in Parkinson's disease. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34172566 DOI: 10.1073/pnas.2011196118 |
0.423 |
|
| 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 |
0.323 |
|
| 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 |
0.437 |
|
| 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 |
0.413 |
|
| 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 |
0.343 |
|
| 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 |
0.376 |
|
| 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 |
0.347 |
|
| 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 |
0.328 |
|
| 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 |
0.334 |
|
| 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 |
0.309 |
|
| 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 |
0.381 |
|
| 2018 |
Chen X, Yin Y, Xi J, Yuan Y, Li Y, Li Q, Wang R, Yao Z, Tang G. 11-Aza-artemisinin Derivatives Exhibit Anticancer Activities by Targeting the Fatty Acid Binding Protein 6 (FABP6) Chinese Journal of Chemistry. 36: 1197-1201. DOI: 10.1002/Cjoc.201800361 |
0.316 |
|
| 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 |
0.431 |
|
| 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 |
0.407 |
|
| 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 |
0.401 |
|
| 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 |
0.331 |
|
| 2016 |
Zhou M, Li Q, Wang R. Current Experimental Methods for Characterizing Protein-Protein Interactions. Chemmedchem. PMID 26864455 DOI: 10.1002/Cmdc.201500495 |
0.353 |
|
| 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 |
0.41 |
|
| 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 |
0.302 |
|
| 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 |
0.377 |
|
| 2015 |
Li YL, Qi XY, Jiang H, Deng XD, Dong YP, Ding TB, Zhou L, Men P, Chu Y, Wang RX, Jiang XC, Ye DY. Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors. Bioorganic & Medicinal Chemistry. 23: 6173-84. PMID 26314925 DOI: 10.1016/J.Bmc.2015.07.060 |
0.322 |
|
| 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 |
0.301 |
|
| 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 |
0.332 |
|
| 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 |
0.371 |
|
| 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 |
0.301 |
|
| 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 |
0.38 |
|
| 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 |
0.445 |
|
| 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 |
0.393 |
|
| 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 |
0.343 |
|
| 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 |
0.391 |
|
| 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 |
0.315 |
|
| 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 |
0.373 |
|
| 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 |
0.335 |
|
| 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 |
0.321 |
|
| 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 |
0.419 |
|
| 2013 |
Zhang P, Yang X, Zhang F, Gabelli SB, Wang R, Zhang Y, Bhat S, Chen X, Furlani M, Amzel LM, Liu JO, Ma D. Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. Bioorganic & Medicinal Chemistry. 21: 2600-17. PMID 23507151 DOI: 10.1016/J.Bmc.2013.02.023 |
0.323 |
|
| 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 |
0.307 |
|
| 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 |
0.37 |
|
| 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 |
0.39 |
|
| 2011 |
Zhang Y, Lin F, Deng X, Wang R, Ye D. Molecular Modeling of the Three-Dimensional Structure of Human Sphingomyelin Synthase Chinese Journal of Chemistry. 29: 1567-1575. DOI: 10.1002/Cjoc.201180282 |
0.341 |
|
| 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 |
0.388 |
|
| 2010 |
Lin F, Wang R. Systematic Derivation of AMBER Force Field Parameters Applicable to Zinc-Containing Systems. Journal of Chemical Theory and Computation. 6: 1852-70. PMID 26615845 DOI: 10.1021/Ct900454Q |
0.311 |
|
| 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 |
0.391 |
|
| 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 |
0.426 |
|
| 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 |
0.38 |
|
| 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 |
0.394 |
|
| 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 |
0.403 |
|
| 2009 |
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. Journal of Chemical Information and Modeling. 49: 1033-48. PMID 19320460 DOI: 10.1021/Ci8004429 |
0.428 |
|
| 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 |
0.356 |
|
| 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 |
0.653 |
|
| 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 |
0.36 |
|
| 2007 |
Zhao Y, Cheng T, Wang R. Automatic perception of organic molecules based on essential structural information. Journal of Chemical Information and Modeling. 47: 1379-85. PMID 17530839 DOI: 10.1021/Ci700028W |
0.372 |
|
| 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 |
0.369 |
|
| 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 |
0.303 |
|
| 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 |
0.351 |
|
| 2007 |
Feng D, Wang G, Wu J, Wang R, Li Z. Hydrogen bonding-driven elastic bis(zinc)porphyrin receptors for neutral and cationic electron-deficient guests with a sandwich-styled complexing pattern Tetrahedron Letters. 48: 6181-6185. DOI: 10.1016/J.Tet.2007.06.076 |
0.31 |
|
| 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 |
0.355 |
|
| 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 |
0.384 |
|
| 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 |
0.39 |
|
| 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 |
0.4 |
|
| 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 |
0.4 |
|
| 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 |
0.408 |
|
| 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 |
0.378 |
|
| 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 |
0.381 |
|
| 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 |
0.387 |
|
| 2004 |
Gao Y, Wang R, Lai L. Structure-based method for analyzing protein-protein interfaces. Journal of Molecular Modeling. 10: 44-54. PMID 14634848 DOI: 10.1007/S00894-003-0168-3 |
0.656 |
|
| 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 |
0.372 |
|
| 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 DOI: 10.1023/A:1016357811882 |
0.689 |
|
| 2001 |
Wang R, Wang S. How does consensus scoring work for virtual library screening? An idealized computer experiment. Journal of Chemical Information and Computer Sciences. 41: 1422-1426. PMID 11604043 DOI: 10.1021/Ci010025X |
0.385 |
|
| 2001 |
Liu Y, Feng Y, Wang R, Gao Y, Lai L. Quinoline-4-acetamides as sPLA2 inhibitors Bioorganic & Medicinal Chemistry Letters. 11: 1639-1641. PMID 11425526 DOI: 10.1016/S0960-894X(01)00229-3 |
0.628 |
|
| 2001 |
Chen J, Wang R, Taussig M, Houk KN. Quantitative calculations of antibody--antigen binding: steroid--DB3 binding energies by the linear interaction energy method. The Journal of Organic Chemistry. 66: 3021-6. PMID 11325266 DOI: 10.1021/Jo001619M |
0.323 |
|
| 2001 |
Rong SB, Hu Y, Enyedy I, Powis G, Meuillet EJ, Wu X, Wang R, Wang S, Kozikowski AP. Molecular modeling studies of the Akt PH domain and its interaction with phosphoinositides. Journal of Medicinal Chemistry. 44: 898-908. PMID 11300871 DOI: 10.1021/Jm000493I |
0.323 |
|
| 2000 |
Wang R, Gao Y, Lai L. Perspectives in Drug Discovery and Design. 19: 47-66. DOI: 10.1023/A:1008763405023 |
0.624 |
|
| 2000 |
Wang R, Gao Y, Lai L. LigBuilder: A Multi-Purpose Program for Structure-Based Drug Design Journal of Molecular Modeling. 6: 498-516. DOI: 10.1007/S0089400060498 |
0.666 |
|
| 1999 |
Li W, Liang S, Wang R, Lai L, Han Y. Exploring the conformational diversity of loops on conserved frameworks. Protein Engineering. 12: 1075-1086. PMID 10611401 DOI: 10.1093/Protein/12.12.1075 |
0.624 |
|
| 1999 |
Tao P, Wang R, Lai L. Calculating Partition Coefficients of Peptides by the Addition Method Journal of Molecular Modeling. 5: 189-195. DOI: 10.1007/S008940050118 |
0.613 |
|
| 1998 |
Wang R, Liu L, Lai L, Tang Y. SCORE: A New Empirical Method for Estimating the Binding Affinity of a Protein-Ligand Complex Journal of Molecular Modeling. 4: 379-394. DOI: 10.1007/S008940050096 |
0.762 |
|
| 1998 |
Wang R, Gao Y, Liu L, Lai L. All-Orientation Search and All-Placement Search in Comparative Molecular Field Analysis Journal of Molecular Modeling. 4: 276-283. DOI: 10.1007/S008940050085 |
0.609 |
|
| 1997 |
Luo Z, Wang R, Lai L. RASSE: a new method for structure-based drug design. Journal of Chemical Information and Computer Sciences. 36: 1187-94. PMID 8941995 DOI: 10.1021/Ci950277W |
0.667 |
|
| 1997 |
Wang R, Fu Y, Lai L. A New Atom-Additive Method for Calculating Partition Coefficients Journal of Chemical Information and Computer Sciences. 37: 615-621. DOI: 10.1021/Ci960169P |
0.638 |
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| Low-probability matches (unlikely to be authored by this person) |
| 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 |
0.297 |
|
| 2013 |
Zhao Z, Zhang Z, Li Y, Zhou M, Li X, Yu B, Wang R. Back Cover: Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling (ChemMedChem 8/2013) Chemmedchem. 8: 1420-1420. DOI: 10.1002/Cmdc.201390034 |
0.296 |
|
| 2007 |
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. 2: 187-93. PMID 17163560 DOI: 10.1002/Cmdc.200600182 |
0.296 |
|
| 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 |
0.294 |
|
| 2023 |
Zhang X, Gao H, Wang H, Chen Z, Zhang Z, Chen X, Li Y, Qi Y, Wang R. PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction. Journal of Chemical Information and Modeling. PMID 37319418 DOI: 10.1021/acs.jcim.3c00253 |
0.291 |
|
| 2012 |
Xu H, Huang W, He QL, Zhao ZX, Zhang F, Wang R, Kang J, Tang GL. Self-resistance to an antitumor antibiotic: a DNA glycosylase triggers the base-excision repair system in yatakemycin biosynthesis. Angewandte Chemie (International Ed. in English). 51: 10532-6. PMID 22987648 DOI: 10.1002/Anie.201204109 |
0.29 |
|
| 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 |
0.286 |
|
| 2013 |
Shi S, Han L, Zhou M, Li Y, Liu Z, Yu B, Wang R. 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. 31: 1133-1138. DOI: 10.1002/Cjoc.201300426 |
0.286 |
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| 2014 |
Wu CF, Li ZM, Xu XN, Zhao ZX, Zhao X, Wang RX, Li ZT. Folding-induced folding: the assembly of aromatic amide and 1,2,3-triazole hybrid helices. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 1418-26. PMID 24382641 DOI: 10.1002/Chem.201304161 |
0.286 |
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| 2009 |
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Zheng F, Fu L, Wang R, Qing FL. Synthesis and conformational analysis of d-2'-deoxy-2',2'-difluoro-4'-dihydro-4'-thionucleosides. Organic & Biomolecular Chemistry. 8: 163-70. PMID 20024147 DOI: 10.1039/B914679B |
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Xiang H, Liu R, Zhang X, An R, Zhou M, Tan C, Li Q, Su M, Guo C, Zhou L, Li Y, Wang R. Discovery of Small-Molecule Autophagy Inhibitors by Disrupting the Protein-Protein Interactions Involving Autophagy-Related 5. Journal of Medicinal Chemistry. PMID 36749313 DOI: 10.1021/acs.jmedchem.2c01233 |
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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 |
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Li Y, Yu B, Sun J, Wang R. Efficient synthesis of baicalin and its analogs Tetrahedron Letters. 56: 3816-3819. DOI: 10.1016/J.Tetlet.2015.04.083 |
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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 |
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Lin F, Wang R. Hemolytic mechanism of dioscin proposed by molecular dynamics simulations. Journal of Molecular Modeling. 16: 107-18. PMID 19513766 DOI: 10.1007/S00894-009-0523-0 |
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