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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2001 1
2002 1
2003 1
2005 3
2006 4
2007 3
2008 4
2009 8
2010 4
2011 5
2012 4
2013 4
2014 3
2015 3
2016 3
2017 3
2018 1
2019 1
2020 5
2021 2
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60 results
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Page 1
Ultra-large library docking for discovering new chemotypes.
Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O'Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. Lyu J, et al. Among authors: irwin jj. Nature. 2019 Feb;566(7743):224-229. doi: 10.1038/s41586-019-0917-9. Epub 2019 Feb 6. Nature. 2019. PMID: 30728502 Free PMC article.
The activities of drug inactive ingredients on biological targets.
Pottel J, Armstrong D, Zou L, Fekete A, Huang XP, Torosyan H, Bednarczyk D, Whitebread S, Bhhatarai B, Liang G, Jin H, Ghaemi SN, Slocum S, Lukacs KV, Irwin JJ, Berg EL, Giacomini KM, Roth BL, Shoichet BK, Urban L. Pottel J, et al. Among authors: irwin jj. Science. 2020 Jul 24;369(6502):403-413. doi: 10.1126/science.aaz9906. Science. 2020. PMID: 32703874 Free PMC article.
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS, Stauch B, Johansson LC, Cherezov V, Kenakin T, Irwin JJ, Shoichet BK, Roth BL, Dubocovich ML. Stein RM, et al. Among authors: irwin jj. Nature. 2020 Mar;579(7800):609-614. doi: 10.1038/s41586-020-2027-0. Epub 2020 Feb 10. Nature. 2020. PMID: 32040955 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
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
Wan X, Yang T, Cuesta A, Pang X, Balius TE, Irwin JJ, Shoichet BK, Taunton J. Wan X, et al. Among authors: irwin jj. J Am Chem Soc. 2020 Mar 18;142(11):4960-4964. doi: 10.1021/jacs.9b10377. Epub 2020 Mar 4. J Am Chem Soc. 2020. PMID: 32105459 Free PMC article.
Predicting new molecular targets for known drugs.
Keiser MJ, Setola V, Irwin JJ, Laggner C, Abbas AI, Hufeisen SJ, Jensen NH, Kuijer MB, Matos RC, Tran TB, Whaley R, Glennon RA, Hert J, Thomas KL, Edwards DD, Shoichet BK, Roth BL. Keiser MJ, et al. Among authors: irwin jj. Nature. 2009 Nov 12;462(7270):175-81. doi: 10.1038/nature08506. Epub 2009 Nov 1. Nature. 2009. PMID: 19881490 Free PMC article.
Docking Finds GPCR Ligands in Dark Chemical Matter.
Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea J, Loza MI, Carlsson J. Ballante F, et al. Among authors: irwin jj. J Med Chem. 2020 Jan 23;63(2):613-620. doi: 10.1021/acs.jmedchem.9b01560. Epub 2020 Jan 13. J Med Chem. 2020. PMID: 31846328
ZINC20-A Free Ultralarge-Scale Chemical Database for Ligand Discovery.
Irwin JJ, Tang KG, Young J, Dandarchuluun C, Wong BR, Khurelbaatar M, Moroz YS, Mayfield J, Sayle RA. Irwin JJ, et al. J Chem Inf Model. 2020 Dec 28;60(12):6065-6073. doi: 10.1021/acs.jcim.0c00675. Epub 2020 Oct 29. J Chem Inf Model. 2020. PMID: 33118813
A Molecular Basis for Innovation in Drug Excipients.
Irwin JJ, Pottel J, Zou L, Wen H, Zuk S, Zhang X, Sterling T, Shoichet BK, Lionberger R, Giacomini KM. Irwin JJ, et al. Clin Pharmacol Ther. 2017 Mar;101(3):320-323. doi: 10.1002/cpt.458. Epub 2016 Sep 28. Clin Pharmacol Ther. 2017. PMID: 27557422 Review.
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