Year |
Citation |
Score |
2020 |
Canham SM, Wang Y, Cornett A, Auld DS, Baeschlin DK, Patoor M, Skaanderup PR, Honda A, Llamas L, Wendel G, Mapa FA, Aspesi P, Labbé-Giguère N, Gamber GG, Palacios DS, ... ... Jenkins JL, et al. Systematic Chemogenetic Library Assembly. Cell Chemical Biology. PMID 32707038 DOI: 10.1016/J.Chembiol.2020.07.004 |
0.315 |
|
2019 |
Ross NT, Lohmann F, Carbonneau S, Fazal A, Weihofen WA, Gleim S, Salcius M, Sigoillot F, Henault M, Carl SH, Rodríguez-Molina JB, Miller HR, Brittain SM, Murphy J, Zambrowski M, ... ... Jenkins J, et al. CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma. Nature Chemical Biology. PMID 31819276 DOI: 10.1038/S41589-019-0424-1 |
0.307 |
|
2019 |
Moret N, Clark NA, Hafner M, Wang Y, Lounkine E, Medvedovic M, Wang J, Gray N, Jenkins J, Sorger PK. Cheminformatics Tools for Analyzing and Designing Optimized Small-Molecule Collections and Libraries. Cell Chemical Biology. PMID 30956147 DOI: 10.1016/J.Chembiol.2019.02.018 |
0.403 |
|
2019 |
Nolin E, Gans S, Llamas L, Bandyopadhyay S, Brittain SM, Bernasconi-Elias P, Carter KP, Loureiro JJ, Thomas JR, Schirle M, Yang Y, Guo N, Roma G, Schuierer S, Beibel M, ... ... Jenkins JL, et al. Discovery of a ZIP7 inhibitor from a Notch pathway screen. Nature Chemical Biology. PMID 30643281 DOI: 10.1038/S41589-018-0200-7 |
0.356 |
|
2018 |
Ye C, Ho DJ, Neri M, Yang C, Kulkarni T, Randhawa R, Henault M, Mostacci N, Farmer P, Renner S, Ihry R, Mansur L, Keller CG, McAllister G, Hild M, ... Jenkins J, et al. DRUG-seq for miniaturized high-throughput transcriptome profiling in drug discovery. Nature Communications. 9: 4307. PMID 30333485 DOI: 10.1038/S41467-018-06500-X |
0.356 |
|
2018 |
Wang Y, Jenkins JL. Quantitative Prioritization of Tool Compounds for Phenotypic Screening. Methods in Molecular Biology (Clifton, N.J.). 1787: 195-206. PMID 29736720 DOI: 10.1007/978-1-4939-7847-2_15 |
0.402 |
|
2017 |
Riba A, Emmenlauer M, Chen A, Sigoillot F, Cong F, Dehio C, Jenkins J, Zavolan M. Explicit Modeling of siRNA-Dependent On- and Off-Target Repression Improves the Interpretation of Screening Results. Cell Systems. PMID 28215525 DOI: 10.1016/J.Cels.2017.01.011 |
0.356 |
|
2016 |
Paricharak S, IJzerman AP, Jenkins JL, Bender A, Nigsch F. Data-driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening. Journal of Chemical Information and Modeling. PMID 27487177 DOI: 10.1021/Acs.Jcim.6B00244 |
0.38 |
|
2016 |
Wang Y, Cornett A, King FJ, Mao Y, Nigsch F, Paris CG, McAllister G, Jenkins JL. Evidence-Based and Quantitative Prioritization of Tool Compounds in Phenotypic Drug Discovery. Cell Chemical Biology. PMID 27427232 DOI: 10.1016/J.Chembiol.2016.05.016 |
0.4 |
|
2015 |
Schirle M, Jenkins JL. Identifying compound efficacy targets in phenotypic drug discovery. Drug Discovery Today. PMID 26272035 DOI: 10.1016/J.Drudis.2015.08.001 |
0.41 |
|
2014 |
Fischer ES, Böhm K, Lydeard JR, Yang H, Stadler MB, Cavadini S, Nagel J, Serluca F, Acker V, Lingaraju GM, Tichkule RB, Schebesta M, Forrester WC, Schirle M, Hassiepen U, ... ... Jenkins JL, et al. Structure of the DDB1-CRBN E3 ubiquitin ligase in complex with thalidomide. Nature. 512: 49-53. PMID 25043012 DOI: 10.1038/Nature13527 |
0.345 |
|
2014 |
Riniker S, Wang Y, Jenkins JL, Landrum GA. Using information from historical high-throughput screens to predict active compounds Journal of Chemical Information and Modeling. 54: 1880-1891. PMID 24933016 DOI: 10.1021/Ci500190P |
0.363 |
|
2014 |
Bassilana F, Carlson A, DaSilva JA, Grosshans B, Vidal S, Beck V, Wilmeringwetter B, Llamas LA, Showalter TB, Rigollier P, Bourret A, Ramamurthy A, Wu X, Harbinski F, Plonsky S, ... ... Jenkins J, et al. Target identification for a Hedgehog pathway inhibitor reveals the receptor GPR39. Nature Chemical Biology. 10: 343-9. PMID 24633354 DOI: 10.1038/Nchembio.1481 |
0.351 |
|
2014 |
Jaeger S, Min J, Nigsch F, Camargo M, Hutz J, Cornett A, Cleaver S, Buckler A, Jenkins JL. Causal Network Models for Predicting Compound Targets and Driving Pathways in Cancer. Journal of Biomolecular Screening. 19: 791-802. PMID 24518063 DOI: 10.1177/1087057114522690 |
0.331 |
|
2014 |
Urban L, Maciejewski M, Lounkine E, Whitebread S, Jenkins JL, Hamon J, Fekete A, Muller PY. Translation of off-target effects: Prediction of ADRs by integrated experimental and computational approach Toxicology Research. 3: 433-444. DOI: 10.1039/C4Tx00077C |
0.345 |
|
2013 |
Petrone PM, Wassermann AM, Lounkine E, Kutchukian P, Simms B, Jenkins J, Selzer P, Glick M. Biodiversity of small molecules--a new perspective in screening set selection. Drug Discovery Today. 18: 674-80. PMID 23454345 DOI: 10.1016/J.Drudis.2013.02.005 |
0.381 |
|
2013 |
Hutz JE, Nelson T, Wu H, McAllister G, Moutsatsos I, Jaeger SA, Bandyopadhyay S, Nigsch F, Cornett B, Jenkins JL, Selinger DW. The multidimensional perturbation value: a single metric to measure similarity and activity of treatments in high-throughput multidimensional screens. Journal of Biomolecular Screening. 18: 367-77. PMID 23204073 DOI: 10.1177/1087057112469257 |
0.346 |
|
2012 |
Jenkins JL. Large-Scale QSAR in Target Prediction and Phenotypic HTS Assessment. Molecular Informatics. 31: 508-14. PMID 27477469 DOI: 10.1002/Minf.201200002 |
0.404 |
|
2012 |
Lounkine E, Keiser MJ, Whitebread S, Mikhailov D, Hamon J, Jenkins JL, Lavan P, Weber E, Doak AK, Côté S, Shoichet BK, Urban L. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 486: 361-7. PMID 22722194 DOI: 10.1038/Nature11159 |
0.369 |
|
2012 |
Petrone PM, Simms B, Nigsch F, Lounkine E, Kutchukian P, Cornett A, Deng Z, Davies JW, Jenkins JL, Glick M. Rethinking molecular similarity: comparing compounds on the basis of biological activity. Acs Chemical Biology. 7: 1399-409. PMID 22594495 DOI: 10.1021/Cb3001028 |
0.347 |
|
2012 |
Nigsch F, Hutz J, Cornett B, Selinger DW, McAllister G, Bandyopadhyay S, Loureiro J, Jenkins JL. Determination of minimal transcriptional signatures of compounds for target prediction. Eurasip Journal On Bioinformatics & Systems Biology. 2012: 2. PMID 22574917 DOI: 10.1186/1687-4153-2012-2 |
0.378 |
|
2011 |
Lounkine E, Nigsch F, Jenkins JL, Glick M. Activity-aware clustering of high throughput screening data and elucidation of orthogonal structure-activity relationships. Journal of Chemical Information and Modeling. 51: 3158-68. PMID 22098146 DOI: 10.1021/Ci2004994 |
0.372 |
|
2011 |
Nigsch F, Lounkine E, McCarren P, Cornett B, Glick M, Azzaoui K, Urban L, Marc P, Müller A, Hahne F, Heard DJ, Jenkins JL. Computational methods for early predictive safety assessment from biological and chemical data. Expert Opinion On Drug Metabolism & Toxicology. 7: 1497-511. PMID 22050465 DOI: 10.1517/17425255.2011.632632 |
0.306 |
|
2011 |
Koutsoukas A, Simms B, Kirchmair J, Bond PJ, Whitmore AV, Zimmer S, Young MP, Jenkins JL, Glick M, Glen RC, Bender A. From in silico target prediction to multi-target drug design: current databases, methods and applications. Journal of Proteomics. 74: 2554-74. PMID 21621023 DOI: 10.1016/J.Jprot.2011.05.011 |
0.398 |
|
2011 |
Renner S, Popov M, Schuffenhauer A, Roth HJ, Breitenstein W, Marzinzik A, Lewis I, Krastel P, Nigsch F, Jenkins J, Jacoby E. Recent trends and observations in the design of high-quality screening collections Future Medicinal Chemistry. 3: 751-766. PMID 21554080 DOI: 10.4155/Fmc.11.15 |
0.369 |
|
2010 |
Sukuru SC, Nigsch F, Quancard J, Renatus M, Chopra R, Brooijmans N, Mikhailov D, Deng Z, Cornett A, Jenkins JL, Hommel U, Davies JW, Glick M. A lead discovery strategy driven by a comprehensive analysis of proteases in the peptide substrate space. Protein Science : a Publication of the Protein Society. 19: 2096-109. PMID 20799349 DOI: 10.1002/Pro.490 |
0.311 |
|
2010 |
Jenkins JL, Urban L. Phenotypic screening: Fishing for neuroactive compounds. Nature Chemical Biology. 6: 172-173. PMID 20154663 DOI: 10.1038/Nchembio.320 |
0.371 |
|
2009 |
Scheiber J, Jenkins JL. Chemogenomic analysis of safety profiling data. Methods in Molecular Biology (Clifton, N.J.). 575: 207-23. PMID 19727617 DOI: 10.1007/978-1-60761-274-2_9 |
0.397 |
|
2009 |
Jacoby E, Boettcher A, Mayr LM, Brown N, Jenkins JL, Kallen J, Engeloch C, Schopfer U, Furet P, Masuya K, Lisztwan J. Knowledge-based virtual screening: application to the MDM4/p53 protein-protein interaction. Methods in Molecular Biology (Clifton, N.J.). 575: 173-94. PMID 19727615 DOI: 10.1007/978-1-60761-274-2_7 |
0.403 |
|
2009 |
Sukuru SC, Jenkins JL, Beckwith RE, Scheiber J, Bender A, Mikhailov D, Davies JW, Glick M. Plate-based diversity selection based on empirical HTS data to enhance the number of hits and their chemical diversity. Journal of Biomolecular Screening. 14: 690-9. PMID 19531667 DOI: 10.1177/1087057109335678 |
0.406 |
|
2009 |
Scheiber J, Chen B, Milik M, Sukuru SC, Bender A, Mikhailov D, Whitebread S, Hamon J, Azzaoui K, Urban L, Glick M, Davies JW, Jenkins JL. Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis. Journal of Chemical Information and Modeling. 49: 308-17. PMID 19434832 DOI: 10.1021/Ci800344P |
0.392 |
|
2009 |
Bender A, Mikhailov D, Glick M, Scheiber J, Davies JW, Cleaver S, Marshall S, Tallarico JA, Harrington E, Cornella-Taracido I, Jenkins JL. Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data. Journal of Proteome Research. 8: 2575-85. PMID 19271732 DOI: 10.1021/Pr900107Z |
0.437 |
|
2009 |
Bender A, Jenkins JL, Scheiber J, Sukuru SC, Glick M, Davies JW. How similar are similarity searching methods? A principal component analysis of molecular descriptor space. Journal of Chemical Information and Modeling. 49: 108-19. PMID 19123924 DOI: 10.1021/Ci800249S |
0.352 |
|
2009 |
Scheiber J, Jenkins JL, Bender A, Milik M, Mikhailov D, Sukuru SCK, Cornett B, Whitebread S, Urban L, Davies JW, Glick M. SPREAD—exploiting chemical features that cause differential activity behavior Statistical Analysis and Data Mining. 2: 115-122. DOI: 10.1002/Sam.V2:2 |
0.348 |
|
2009 |
Scheiber J, Jenkins JL, Bender A, Milik M, Mikhailov D, Sukuru SCK, Cornett B, Whitebread S, Urban L, Davies JW, Glick M. SPREAD-exploiting chemical features that cause differential activity behavior Statistical Analysis and Data Mining. 2: 115-122. DOI: 10.1002/Sam.10036 |
0.345 |
|
2008 |
Nigsch F, Bender A, Jenkins JL, Mitchell JB. Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics. Journal of Chemical Information and Modeling. 48: 2313-25. PMID 19055411 DOI: 10.1021/Ci800079X |
0.363 |
|
2008 |
Crisman TJ, Bender A, Milik M, Jenkins JL, Scheiber J, Sukuru SC, Fejzo J, Hommel U, Davies JW, Glick M. "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits. Journal of Medicinal Chemistry. 51: 2481-91. PMID 18357974 DOI: 10.1021/Jm701314U |
0.423 |
|
2008 |
You TH, Lee MK, Jenkins JL, Alzate O, Dean DH. Blocking binding of Bacillus thuringiensis Cry1Aa to Bombyx mori cadherin receptor results in only a minor reduction of toxicity. Bmc Biochemistry. 9: 3. PMID 18218126 DOI: 10.1186/1471-2091-9-3 |
0.714 |
|
2008 |
Young DW, Bender A, Hoyt J, McWhinnie E, Chirn GW, Tao CY, Tallarico JA, Labow M, Jenkins JL, Mitchison TJ, Feng Y. Integrating high-content screening and ligand-target prediction to identify mechanism of action. Nature Chemical Biology. 4: 59-68. PMID 18066055 DOI: 10.1038/Nchembio.2007.53 |
0.423 |
|
2008 |
Scheiber J, Jenkins J, Bender A, Whitebread S, Hamon J, Urban L, Azzaoui K, Glick M, Davies J. Side effect profile prediction - early addressing of big pharma's worst nightmare Chemistry Central Journal. 2: 1-1. DOI: 10.1186/1752-153X-2-S1-S4 |
0.38 |
|
2007 |
Bender A, Young DW, Jenkins JL, Serrano M, Mikhailov D, Clemons PA, Davies JW. Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint. Combinatorial Chemistry & High Throughput Screening. 10: 719-31. PMID 18045083 DOI: 10.2174/138620707782507313 |
0.418 |
|
2007 |
Crisman TJ, Parker CN, Jenkins JL, Scheiber J, Thoma M, Kang ZB, Kim R, Bender A, Nettles JH, Davies JW, Glick M. Understanding false positives in reporter gene assays: in silico chemogenomics approaches to prioritize cell-based HTS data. Journal of Chemical Information and Modeling. 47: 1319-27. PMID 17608469 DOI: 10.1021/Ci6005504 |
0.4 |
|
2007 |
Azzaoui K, Hamon J, Faller B, Whitebread S, Jacoby E, Bender A, Jenkins JL, Urban L. Modeling promiscuity based on in vitro safety pharmacology profiling data. Chemmedchem. 2: 874-80. PMID 17492703 DOI: 10.1002/Cmdc.200700036 |
0.393 |
|
2007 |
Bender A, Scheiber J, Glick M, Davies JW, Azzaoui K, Hamon J, Urban L, Whitebread S, Jenkins JL. Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure. Chemmedchem. 2: 861-73. PMID 17477341 DOI: 10.1002/Cmdc.200700026 |
0.363 |
|
2007 |
Crisman TJ, Jenkins JL, Parker CN, Hill WA, Bender A, Deng Z, Nettles JH, Davies JW, Glick M. "Plate cherry picking": a novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection. Journal of Biomolecular Screening. 12: 320-7. PMID 17438067 DOI: 10.1177/1087057107299427 |
0.407 |
|
2007 |
Nettles JH, Jenkins JL, Williams C, Clark AM, Bender A, Deng Z, Davies JW, Glick M. Flexible 3D pharmacophores as descriptors of dynamic biological space. Journal of Molecular Graphics & Modelling. 26: 622-33. PMID 17395510 DOI: 10.1016/J.Jmgm.2007.02.005 |
0.36 |
|
2007 |
Bender A, Scheiber J, Glick M, Davies J, Azzaoui K, Hamon J, Urban L, Whitebread S, Jenkins J. Cover Picture: Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure (ChemMedChem 6/2007) Chemmedchem. 2: 733-733. DOI: 10.1002/Cmdc.200790016 |
0.33 |
|
2006 |
Bender A, Jenkins JL, Li Q, Adams SE, Cannon EO, Glen RC. Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR. Annual Reports in Computational Chemistry. 2: 141-168. PMID 32362803 DOI: 10.1016/S1574-1400(06)02009-3 |
0.346 |
|
2006 |
Nettles JH, Jenkins JL, Bender A, Deng Z, Davies JW, Glick M. Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors. Journal of Medicinal Chemistry. 49: 6802-10. PMID 17154510 DOI: 10.1021/Jm060902W |
0.356 |
|
2006 |
Bender A, Jenkins JL, Glick M, Deng Z, Nettles JH, Davies JW. "Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept? Journal of Chemical Information and Modeling. 46: 2445-56. PMID 17125186 DOI: 10.1021/Ci600197Y |
0.366 |
|
2006 |
Davies JW, Glick M, Jenkins JL. Streamlining lead discovery by aligning in silico and high-throughput screening. Current Opinion in Chemical Biology. 10: 343-51. PMID 16822701 DOI: 10.1016/J.Cbpa.2006.06.022 |
0.355 |
|
2006 |
Nidhi, Glick M, Davies JW, Jenkins JL. Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases. Journal of Chemical Information and Modeling. 46: 1124-33. PMID 16711732 DOI: 10.1021/Ci060003G |
0.41 |
|
2006 |
Glick M, Jenkins JL, Nettles JH, Hitchings H, Davies JW. Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers. Journal of Chemical Information and Modeling. 46: 193-200. PMID 16426055 DOI: 10.1021/Ci050374H |
0.341 |
|
2006 |
Jenkins JL, Bender A, Davies JW. In silico target fishing: Predicting biological targets from chemical structure Drug Discovery Today: Technologies. 3: 413-421. DOI: 10.1016/J.Ddtec.2006.12.008 |
0.384 |
|
2004 |
Jenkins JL, Glick M, Davies JW. A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes. Journal of Medicinal Chemistry. 47: 6144-59. PMID 15566286 DOI: 10.1021/Jm049654Z |
0.36 |
|
2003 |
Tonan K, Xu P, Jenkins JL, Russo A, Shapiro R, Ni F. Unexpected binding mode for 2'-phosphoadenosine-based nucleotide inhibitors in complex with human angiogenin revealed by heteronuclear NMR spectroscopy. Biochemistry. 42: 11137-49. PMID 14503864 DOI: 10.1021/Bi030066H |
0.334 |
|
2003 |
Jenkins JL, Shapiro R. Identification of small-molecule inhibitors of human angiogenin and characterization of their binding interactions guided by computational docking. Biochemistry. 42: 6674-87. PMID 12779322 DOI: 10.1021/Bi034164E |
0.418 |
|
2003 |
Jenkins JL, Kao RY, Shapiro R. Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin. Proteins. 50: 81-93. PMID 12471601 DOI: 10.1002/Prot.10270 |
0.327 |
|
2002 |
Kao RY, Jenkins JL, Olson KA, Key ME, Fett JW, Shapiro R. A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity. Proceedings of the National Academy of Sciences of the United States of America. 99: 10066-71. PMID 12118120 DOI: 10.1073/Pnas.152342999 |
0.408 |
|
2001 |
Jenkins JL, Dean DH. Binding specificity of Bacillus thuringiensis Cry1Aa for purified, native Bombyx mori aminopeptidase N and cadherin-like receptors. Bmc Biochemistry. 2: 12. PMID 11722800 DOI: 10.1186/1471-2091-2-12 |
0.599 |
|
2001 |
Lee MK, Jenkins JL, You TH, Curtiss A, Son JJ, Adang MJ, Dean DH. Mutations at the arginine residues in alpha8 loop of Bacillus thuringiensis delta-endotoxin Cry1Ac affect toxicity and binding to Manduca sexta and Lymantria dispar aminopeptidase N. Febs Letters. 497: 108-12. PMID 11377423 DOI: 10.1016/S0014-5793(01)02446-2 |
0.567 |
|
2001 |
Valaitis AP, Jenkins JL, Lee MK, Dean DH, Garner KJ. Isolation and partial characterization of gypsy moth BTR-270, an anionic brush border membrane glycoconjugate that binds Bacillus thuringiensis Cry1A toxins with high affinity. Archives of Insect Biochemistry and Physiology. 46: 186-200. PMID 11304752 DOI: 10.1002/Arch.1028 |
0.592 |
|
2000 |
Jenkins JL, Dean DH. Exploring the mechanism of action of insecticidal proteins by genetic engineering methods. Genetic Engineering. 22: 33-54. PMID 11501380 DOI: 10.1007/978-1-4615-4199-8_4 |
0.558 |
|
2000 |
Lee MK, Rajamohan F, Jenkins JL, Curtiss AS, Dean DH. Role of two arginine residues in domain II, loop 2 of Cry1Ab and Cry1Ac Bacillus thuringiensis delta-endotoxin in toxicity and binding to Manduca sexta and Lymantria dispar aminopeptidase N. Molecular Microbiology. 38: 289-98. PMID 11069655 DOI: 10.1046/J.1365-2958.2000.02109.X |
0.581 |
|
2000 |
Jenkins JL, Lee MK, Valaitis AP, Curtiss A, Dean DH. Bivalent sequential binding model of a Bacillus thuringiensis toxin to gypsy moth aminopeptidase N receptor. The Journal of Biological Chemistry. 275: 14423-31. PMID 10799525 DOI: 10.1074/Jbc.275.19.14423 |
0.604 |
|
1999 |
Jenkins JL, Lee MK, Sangadala S, Adang MJ, Dean DH. Binding of Bacillus thuringiensis Cry1Ac toxin to Manduca sexta aminopeptidase-N receptor is not directly related to toxicity. Febs Letters. 462: 373-6. PMID 10622728 DOI: 10.1016/S0014-5793(99)01559-8 |
0.596 |
|
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