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Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline.
Lau EY, Negrete OA, Bennett WFD, Bennion BJ, Borucki M, Bourguet F, Epstein A, Franco M, Harmon B, He S, Jones D, Kim H, Kirshner D, Lao V, Lo J, McLoughlin K, Mosesso R, Murugesh DK, Saada EA, Segelke B, Stefan MA, Stevenson GA, Torres MW, Weilhammer DR, Wong S, Yang Y, Zemla A, Zhang X, Zhu F, Allen JE, Lightstone FC. Lau EY, et al. Among authors: mcloughlin k. Front Mol Biosci. 2021 Jul 9;8:678701. doi: 10.3389/fmolb.2021.678701. eCollection 2021. Front Mol Biosci. 2021. PMID: 34327214 Free PMC article.
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery.
Minnich AJ, McLoughlin K, Tse M, Deng J, Weber A, Murad N, Madej BD, Ramsundar B, Rush T, Calad-Thomson S, Brase J, Allen JE. Minnich AJ, et al. Among authors: mcloughlin k. J Chem Inf Model. 2020 Apr 27;60(4):1955-1968. doi: 10.1021/acs.jcim.9b01053. Epub 2020 Apr 16. J Chem Inf Model. 2020. PMID: 32243153 Free PMC article.
Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump.
McLoughlin KS, Jeong CG, Sweitzer TD, Minnich AJ, Tse MJ, Bennion BJ, Allen JE, Calad-Thomson S, Rush TS, Brase JM. McLoughlin KS, et al. J Chem Inf Model. 2021 Feb 22;61(2):587-602. doi: 10.1021/acs.jcim.0c00950. Epub 2021 Jan 27. J Chem Inf Model. 2021. PMID: 33502191
A functional gene array for detection of bacterial virulence elements.
Jaing C, Gardner S, McLoughlin K, Mulakken N, Alegria-Hartman M, Banda P, Williams P, Gu P, Wagner M, Manohar C, Slezak T. Jaing C, et al. Among authors: mcloughlin k. PLoS One. 2008 May 14;3(5):e2163. doi: 10.1371/journal.pone.0002163. PLoS One. 2008. PMID: 18478124 Free PMC article.
160 results