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Automated docking screens: a feasibility study.
Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y. Irwin JJ, et al. Among authors: mysinger mm. J Med Chem. 2009 Sep 24;52(18):5712-20. doi: 10.1021/jm9006966. J Med Chem. 2009. PMID: 19719084 Free PMC article.
Predicted Biological Activity of Purchasable Chemical Space.
Irwin JJ, Gaskins G, Sterling T, Mysinger MM, Keiser MJ. Irwin JJ, et al. Among authors: mysinger mm. J Chem Inf Model. 2018 Jan 22;58(1):148-164. doi: 10.1021/acs.jcim.7b00316. Epub 2017 Dec 29. J Chem Inf Model. 2018. PMID: 29193970 Free PMC article.
ZINC: a free tool to discover chemistry for biology.
Irwin JJ, Sterling T, Mysinger MM, Bolstad ES, Coleman RG. Irwin JJ, et al. Among authors: mysinger mm. J Chem Inf Model. 2012 Jul 23;52(7):1757-68. doi: 10.1021/ci3001277. Epub 2012 Jun 15. J Chem Inf Model. 2012. PMID: 22587354 Free PMC article.