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Interactive exploration of chemical space with Scaffold Hunter.
Wetzel S, Klein K, Renner S, Rauh D, Oprea TI, Mutzel P, Waldmann H. Wetzel S, et al. Among authors: oprea ti. Nat Chem Biol. 2009 Aug;5(8):581-3. doi: 10.1038/nchembio.187. Epub 2009 Jun 28. Nat Chem Biol. 2009. PMID: 19561620
A crowdsourcing evaluation of the NIH chemical probes.
Oprea TI, Bologa CG, Boyer S, Curpan RF, Glen RC, Hopkins AL, Lipinski CA, Marshall GR, Martin YC, Ostopovici-Halip L, Rishton G, Ursu O, Vaz RJ, Waller C, Waldmann H, Sklar LA. Oprea TI, et al. Nat Chem Biol. 2009 Jul;5(7):441-7. doi: 10.1038/nchembio0709-441. Nat Chem Biol. 2009. PMID: 19536101 Free PMC article.
Bioactivity-guided mapping and navigation of chemical space.
Renner S, van Otterlo WA, Dominguez Seoane M, Möcklinghoff S, Hofmann B, Wetzel S, Schuffenhauer A, Ertl P, Oprea TI, Steinhilber D, Brunsveld L, Rauh D, Waldmann H. Renner S, et al. Among authors: oprea ti. Nat Chem Biol. 2009 Aug;5(8):585-92. doi: 10.1038/nchembio.188. Epub 2009 Jun 28. Nat Chem Biol. 2009. PMID: 19561619
A scaffold-tree-merging strategy for prospective bioactivity annotation of gamma-pyrones.
Wetzel S, Wilk W, Chammaa S, Sperl B, Roth AG, Yektaoglu A, Renner S, Berg T, Arenz C, Giannis A, Oprea TI, Rauh D, Kaiser M, Waldmann H. Wetzel S, et al. Among authors: oprea ti. Angew Chem Int Ed Engl. 2010 May 10;49(21):3666-70. doi: 10.1002/anie.200906555. Angew Chem Int Ed Engl. 2010. PMID: 20394088 No abstract available.
Systems chemical biology.
Oprea TI, Tropsha A, Faulon JL, Rintoul MD. Oprea TI, et al. Nat Chem Biol. 2007 Aug;3(8):447-50. doi: 10.1038/nchembio0807-447. Nat Chem Biol. 2007. PMID: 17637771 Free PMC article.
Novel chemical space exploration via natural products.
Rosén J, Gottfries J, Muresan S, Backlund A, Oprea TI. Rosén J, et al. Among authors: oprea ti. J Med Chem. 2009 Apr 9;52(7):1953-62. doi: 10.1021/jm801514w. J Med Chem. 2009. PMID: 19265440 Free PMC article.
In vivo effects of a GPR30 antagonist.
Dennis MK, Burai R, Ramesh C, Petrie WK, Alcon SN, Nayak TK, Bologa CG, Leitao A, Brailoiu E, Deliu E, Dun NJ, Sklar LA, Hathaway HJ, Arterburn JB, Oprea TI, Prossnitz ER. Dennis MK, et al. Among authors: oprea ti. Nat Chem Biol. 2009 Jun;5(6):421-7. doi: 10.1038/nchembio.168. Nat Chem Biol. 2009. PMID: 19430488 Free PMC article.
Computational systems chemical biology.
Oprea TI, May EE, Leitão A, Tropsha A. Oprea TI, et al. Methods Mol Biol. 2011;672:459-88. doi: 10.1007/978-1-60761-839-3_18. Methods Mol Biol. 2011. PMID: 20838980 Free PMC article. Review.
Crowdsourced mapping of unexplored target space of kinase inhibitors.
Cichońska A, Ravikumar B, Allaway RJ, Wan F, Park S, Isayev O, Li S, Mason M, Lamb A, Tanoli Z, Jeon M, Kim S, Popova M, Capuzzi S, Zeng J, Dang K, Koytiger G, Kang J, Wells CI, Willson TM; IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium; Oprea TI, Schlessinger A, Drewry DH, Stolovitzky G, Wennerberg K, Guinney J, Aittokallio T. Cichońska A, et al. Among authors: oprea ti. Nat Commun. 2021 Jun 3;12(1):3307. doi: 10.1038/s41467-021-23165-1. Nat Commun. 2021. PMID: 34083538 Free PMC article.
230 results