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Esther Kellenberger - Publications

Affiliations: 
University of Strasbourg, Strasbourg, Grand Est, France 
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21 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
2019 Koensgen F, Da Silva F, Rognan D, Kellenberger E. Unsupervised classification of G-protein coupled receptors and their conformational states using IChem intramolecular interaction patterns. Journal of Chemical Information and Modeling. PMID 31408338 DOI: 10.1021/acs.jcim.9b00054  0.513
2019 Jacquemard C, Tran-Nguyen VK, Drwal MN, Rognan D, Kellenberger E. Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses. Molecules (Basel, Switzerland). 24. PMID 31323745 DOI: 10.3390/molecules24142610  0.513
2018 Drwal MN, Bret G, Perez C, Jacquemard C, Desaphy J, Kellenberger E. Structural insights on fragment binding mode conservation. Journal of Medicinal Chemistry. PMID 29906118 DOI: 10.1021/acs.jmedchem.8b00256  0.335
2017 Drwal MN, Jacquemard C, Perez C, Desaphy J, Kellenberger E. Do fragments and crystallization additives bind similarly to drug-like ligands? Journal of Chemical Information and Modeling. PMID 28414463 DOI: 10.1021/acs.jcim.6b00769  0.341
2016 Sturm N, Rognan D, Quinn RJ, Kellenberger E. Comparing atom-based with residue-based descriptors in predicting binding site similarity: do backbone atoms matter? Future Medicinal Chemistry. PMID 27629811 DOI: 10.4155/fmc-2016-0077  0.513
2015 Sturm N, Quinn RJ, Kellenberger E. Similarity between Flavonoid Biosynthetic Enzymes and Flavonoid Protein Targets Captured by Three-Dimensional Computing Approach. Planta Medica. 81: 467-73. PMID 25719942 DOI: 10.1055/s-0035-1545697  0.335
2015 Desaphy J, Bret G, Rognan D, Kellenberger E. sc-PDB: a 3D-database of ligandable binding sites--10 years on. Nucleic Acids Research. 43: D399-404. PMID 25300483 DOI: 10.1093/nar/gku928  0.606
2013 Daval SB, Kellenberger E, Bonnet D, Utard V, Galzi JL, Ilien B. Exploration of the orthosteric/allosteric interface in human M1 muscarinic receptors by bitopic fluorescent ligands. Molecular Pharmacology. 84: 71-85. PMID 23604140 DOI: 10.1124/mol.113.085670  0.318
2012 Sturm N, Desaphy J, Quinn RJ, Rognan D, Kellenberger E. Structural insights into the molecular basis of the ligand promiscuity. Journal of Chemical Information and Modeling. 52: 2410-21. PMID 22920885 DOI: 10.1021/ci300196g  0.623
2012 Desaphy J, Azdimousa K, Kellenberger E, Rognan D. Comparison and druggability prediction of protein-ligand binding sites from pharmacophore-annotated cavity shapes Journal of Chemical Information and Modeling. 52: 2287-2299. PMID 22834646 DOI: 10.1021/ci300184x  0.631
2011 Garcia-Perez J, Rueda P, Alcami J, Rognan D, Arenzana-Seisdedos F, Lagane B, Kellenberger E. Allosteric model of maraviroc binding to CC Chemokine Receptor 5 (CCR5) Journal of Biological Chemistry. 286: 33409-33421. PMID 21775441 DOI: 10.1074/jbc.M111.279596  0.591
2011 Meslamani J, Rognan D, Kellenberger E. sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins. Bioinformatics (Oxford, England). 27: 1324-6. PMID 21398668 DOI: 10.1093/bioinformatics/btr120  0.618
2010 Kuhn I, Kellenberger E, Said-Hassane F, Villa P, Rognan D, Lobstein A, Haiech J, Hibert M, Schuber F, Muller-Steffner H. Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme Bioorganic and Medicinal Chemistry. 18: 7900-7910. PMID 20951593 DOI: 10.1016/j.bmc.2010.09.041  0.524
2008 Kellenberger E, Foata N, Rognan D. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: Methods and problems Journal of Chemical Information and Modeling. 48: 1014-1025. PMID 18412328 DOI: 10.1021/ci800023x  0.557
2008 Schalon C, Surgand JS, Kellenberger E, Rognan D. A simple and fuzzy method to align and compare druggable ligand-binding sites Proteins: Structure, Function and Genetics. 71: 1755-1778. PMID 18175308 DOI: 10.1002/prot.21858  0.605
2007 Kellenberger E, Springael JY, Parmentier M, Hachet-Haas M, Galzi JL, Rognan D. Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening. Journal of Medicinal Chemistry. 50: 1294-303. PMID 17311371 DOI: 10.1021/jm061389p  0.577
2006 Kuhn I, Kellenberger E, Rognan D, Lund FE, Muller-Steffner H, Schuber F. Redesign of Schistosoma mansoni NAD+ catabolizing enzyme: Active site H103W mutation restores ADP-ribosyl cyclase activity Biochemistry. 45: 11867-11878. PMID 17002287 DOI: 10.1021/bi060930g  0.533
2006 Kellenberger E, Muller P, Schalon C, Bret G, Foata N, Rognan D. sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank. Journal of Chemical Information and Modeling. 46: 717-27. PMID 16563002 DOI: 10.1021/ci050372x  0.616
2006 Surgand JS, Rodrigo J, Kellenberger E, Rognan D. A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors Proteins: Structure, Function and Genetics. 62: 509-538. PMID 16294340 DOI: 10.1002/prot.20768  0.575
2004 Kellenberger E, Rodrigo J, Muller P, Rognan D. Comparative evaluation of eight docking tools for docking and virtual screening accuracy Proteins: Structure, Function and Genetics. 57: 225-242. PMID 15340911 DOI: 10.1002/prot.20149  0.542
2004 Paul N, Kellenberger E, Bret G, Müller P, Rognan D. Recovering the True Targets of Specific Ligands by Virtual Screening of the Protein Data Bank Proteins: Structure, Function and Genetics. 54: 671-680. PMID 14997563 DOI: 10.1002/prot.10625  0.597
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