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Drug target ontology to classify and integrate drug discovery data.
Lin Y, Mehta S, Küçük-McGinty H, Turner JP, Vidovic D, Forlin M, Koleti A, Nguyen DT, Jensen LJ, Guha R, Mathias SL, Ursu O, Stathias V, Duan J, Nabizadeh N, Chung C, Mader C, Visser U, Yang JJ, Bologa CG, Oprea TI, Schürer SC. Lin Y, et al. Among authors: ursu o. J Biomed Semantics. 2017 Nov 9;8(1):50. doi: 10.1186/s13326-017-0161-x. J Biomed Semantics. 2017. PMID: 29122012 Free PMC article.
Pharos: Collating protein information to shed light on the druggable genome.
Nguyen DT, Mathias S, Bologa C, Brunak S, Fernandez N, Gaulton A, Hersey A, Holmes J, Jensen LJ, Karlsson A, Liu G, Ma'ayan A, Mandava G, Mani S, Mehta S, Overington J, Patel J, Rouillard AD, Schürer S, Sheils T, Simeonov A, Sklar LA, Southall N, Ursu O, Vidovic D, Waller A, Yang J, Jadhav A, Oprea TI, Guha R. Nguyen DT, et al. Among authors: ursu o. Nucleic Acids Res. 2017 Jan 4;45(D1):D995-D1002. doi: 10.1093/nar/gkw1072. Epub 2016 Nov 29. Nucleic Acids Res. 2017. PMID: 27903890 Free PMC article.
TIN-X: target importance and novelty explorer.
Cannon DC, Yang JJ, Mathias SL, Ursu O, Mani S, Waller A, Schürer SC, Jensen LJ, Sklar LA, Bologa CG, Oprea TI. Cannon DC, et al. Among authors: ursu o. Bioinformatics. 2017 Aug 15;33(16):2601-2603. doi: 10.1093/bioinformatics/btx200. Bioinformatics. 2017. PMID: 28398460 Free PMC article.
Model-free drug-likeness from fragments.
Ursu O, Oprea TI. Ursu O, et al. J Chem Inf Model. 2010 Aug 23;50(8):1387-94. doi: 10.1021/ci100202p. J Chem Inf Model. 2010. PMID: 20726597
The CARLSBAD database: a confederated database of chemical bioactivities.
Mathias SL, Hines-Kay J, Yang JJ, Zahoransky-Kohalmi G, Bologa CG, Ursu O, Oprea TI. Mathias SL, et al. Among authors: ursu o. Database (Oxford). 2013 Jun 21;2013:bat044. doi: 10.1093/database/bat044. Print 2013. Database (Oxford). 2013. PMID: 23794735 Free PMC article.
Emerging trends in the discovery of natural product antibacterials.
Bologa CG, Ursu O, Oprea TI, Melançon CE 3rd, Tegos GP. Bologa CG, et al. Among authors: ursu o. Curr Opin Pharmacol. 2013 Oct;13(5):678-87. doi: 10.1016/j.coph.2013.07.002. Epub 2013 Jul 24. Curr Opin Pharmacol. 2013. PMID: 23890825 Free PMC article. Review.
Badapple: promiscuity patterns from noisy evidence.
Yang JJ, Ursu O, Lipinski CA, Sklar LA, Oprea TI, Bologa CG. Yang JJ, et al. Among authors: ursu o. J Cheminform. 2016 May 28;8:29. doi: 10.1186/s13321-016-0137-3. eCollection 2016. J Cheminform. 2016. PMID: 27239230 Free PMC article.
DrugCentral: online drug compendium.
Ursu O, Holmes J, Knockel J, Bologa CG, Yang JJ, Mathias SL, Nelson SJ, Oprea TI. Ursu O, et al. Nucleic Acids Res. 2017 Jan 4;45(D1):D932-D939. doi: 10.1093/nar/gkw993. Epub 2016 Oct 26. Nucleic Acids Res. 2017. PMID: 27789690 Free PMC article.
A comprehensive map of molecular drug targets.
Santos R, Ursu O, Gaulton A, Bento AP, Donadi RS, Bologa CG, Karlsson A, Al-Lazikani B, Hersey A, Oprea TI, Overington JP. Santos R, et al. Among authors: ursu o. Nat Rev Drug Discov. 2017 Jan;16(1):19-34. doi: 10.1038/nrd.2016.230. Epub 2016 Dec 2. Nat Rev Drug Discov. 2017. PMID: 27910877 Free PMC article. Review.
Protein biomarker druggability profiling.
Mani S, Cannon D, Ohls R, Oprea T, Mathias S, Ballard K, Ursu O, Bologa C. Mani S, et al. Among authors: ursu o. J Biomed Inform. 2017 Feb;66:241-247. doi: 10.1016/j.jbi.2017.01.014. Epub 2017 Jan 25. J Biomed Inform. 2017. PMID: 28131723 Free PMC article.
75 results