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Page 1
ZINC 15--Ligand Discovery for Everyone.
Sterling T, Irwin JJ. Sterling T, et al. Among authors: irwin jj. J Chem Inf Model. 2015 Nov 23;55(11):2324-37. doi: 10.1021/acs.jcim.5b00559. Epub 2015 Nov 9. J Chem Inf Model. 2015. PMID: 26479676 Free PMC article.
Relating protein pharmacology by ligand chemistry.
Keiser MJ, Roth BL, Armbruster BN, Ernsberger P, Irwin JJ, Shoichet BK. Keiser MJ, et al. Among authors: irwin jj. Nat Biotechnol. 2007 Feb;25(2):197-206. doi: 10.1038/nbt1284. Nat Biotechnol. 2007. PMID: 17287757 Free article.
Quantifying the relationships among drug classes.
Hert J, Keiser MJ, Irwin JJ, Oprea TI, Shoichet BK. Hert J, et al. Among authors: irwin jj. J Chem Inf Model. 2008 Apr;48(4):755-65. doi: 10.1021/ci8000259. Epub 2008 Mar 13. J Chem Inf Model. 2008. PMID: 18335977 Free PMC article.
Using ZINC to acquire a virtual screening library.
Irwin JJ. Irwin JJ. Curr Protoc Bioinformatics. 2008 Jun;Chapter 14:14.6.1-14.6.23. doi: 10.1002/0471250953.bi1406s22. Curr Protoc Bioinformatics. 2008. PMID: 18551414 Review.
Structure-based discovery of beta2-adrenergic receptor ligands.
Kolb P, Rosenbaum DM, Irwin JJ, Fung JJ, Kobilka BK, Shoichet BK. Kolb P, et al. Among authors: irwin jj. Proc Natl Acad Sci U S A. 2009 Apr 21;106(16):6843-8. doi: 10.1073/pnas.0812657106. Epub 2009 Apr 2. Proc Natl Acad Sci U S A. 2009. PMID: 19342484 Free PMC article.
Molecular docking screens using comparative models of proteins.
Fan H, Irwin JJ, Webb BM, Klebe G, Shoichet BK, Sali A. Fan H, et al. Among authors: irwin jj. J Chem Inf Model. 2009 Nov;49(11):2512-27. doi: 10.1021/ci9003706. J Chem Inf Model. 2009. PMID: 19845314 Free PMC article.
Structure-based discovery of A2A adenosine receptor ligands.
Carlsson J, Yoo L, Gao ZG, Irwin JJ, Shoichet BK, Jacobson KA. Carlsson J, et al. Among authors: irwin jj. J Med Chem. 2010 May 13;53(9):3748-55. doi: 10.1021/jm100240h. J Med Chem. 2010. PMID: 20405927 Free PMC article.
The chemical basis of pharmacology.
Keiser MJ, Irwin JJ, Shoichet BK. Keiser MJ, et al. Among authors: irwin jj. Biochemistry. 2010 Dec 7;49(48):10267-76. doi: 10.1021/bi101540g. Epub 2010 Nov 12. Biochemistry. 2010. PMID: 21058655 Free PMC article. Review.
95 results