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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.
How good is your screening library?
Irwin JJ. Irwin JJ. Curr Opin Chem Biol. 2006 Aug;10(4):352-6. doi: 10.1016/j.cbpa.2006.06.003. Epub 2006 Jun 21. Curr Opin Chem Biol. 2006. PMID: 16797220 Review.
Benchmarking sets for molecular docking.
Huang N, Shoichet BK, Irwin JJ. Huang N, et al. Among authors: irwin jj. J Med Chem. 2006 Nov 16;49(23):6789-801. doi: 10.1021/jm0608356. J Med Chem. 2006. PMID: 17154509 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
Community benchmarks for virtual screening.
Irwin JJ. Irwin JJ. J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):193-9. doi: 10.1007/s10822-008-9189-4. Epub 2008 Feb 14. J Comput Aided Mol Des. 2008. PMID: 18273555 Review.
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.
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