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ZINC 15--Ligand Discovery for Everyone.
Sterling T, Irwin JJ. Sterling T, et al. 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.
Predicted Biological Activity of Purchasable Chemical Space.
Irwin JJ, Gaskins G, Sterling T, Mysinger MM, Keiser MJ. Irwin JJ, et al. Among authors: sterling t. 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.
The Recognition of Identical Ligands by Unrelated Proteins.
Barelier S, Sterling T, O'Meara MJ, Shoichet BK. Barelier S, et al. Among authors: sterling t. ACS Chem Biol. 2015 Dec 18;10(12):2772-84. doi: 10.1021/acschembio.5b00683. Epub 2015 Oct 12. ACS Chem Biol. 2015. PMID: 26421501 Free PMC article.
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
Coleman RG, Sterling T, Weiss DR. Coleman RG, et al. Among authors: sterling t. J Comput Aided Mol Des. 2014 Mar;28(3):201-9. doi: 10.1007/s10822-014-9722-6. Epub 2014 Feb 11. J Comput Aided Mol Des. 2014. PMID: 24515818 Free PMC article.
Ligand pose and orientational sampling in molecular docking.
Coleman RG, Carchia M, Sterling T, Irwin JJ, Shoichet BK. Coleman RG, et al. Among authors: sterling t. PLoS One. 2013 Oct 1;8(10):e75992. doi: 10.1371/journal.pone.0075992. eCollection 2013. PLoS One. 2013. PMID: 24098414 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: sterling t. 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.
An Aggregation Advisor for Ligand Discovery.
Irwin JJ, Duan D, Torosyan H, Doak AK, Ziebart KT, Sterling T, Tumanian G, Shoichet BK. Irwin JJ, et al. Among authors: sterling t. J Med Chem. 2015 Sep 10;58(17):7076-87. doi: 10.1021/acs.jmedchem.5b01105. Epub 2015 Aug 28. J Med Chem. 2015. PMID: 26295373 Free PMC article.
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. Among authors: sterling t. 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.
Revealing the specificity of regulatory T cells in murine autoimmune diabetes.
Spence A, Purtha W, Tam J, Dong S, Kim Y, Ju CH, Sterling T, Nakayama M, Robinson WH, Bluestone JA, Anderson MS, Tang Q. Spence A, et al. Among authors: sterling t. Proc Natl Acad Sci U S A. 2018 May 15;115(20):5265-5270. doi: 10.1073/pnas.1715590115. Epub 2018 Apr 30. Proc Natl Acad Sci U S A. 2018. PMID: 29712852 Free PMC article.
Identifying therapeutic drug targets using bidirectional effect genes.
Estrada K, Froelich S, Wuster A, Bauer CR, Sterling T, Clark WT, Ru Y, Trinidad M, Nguyen HP, Luu AR, Wendt DJ, Yogalingam G, Yu GK, LeBowitz JH, Cardon LR. Estrada K, et al. Among authors: sterling t. Nat Commun. 2021 Apr 13;12(1):2224. doi: 10.1038/s41467-021-21843-8. Nat Commun. 2021. PMID: 33850126 Free PMC article.
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