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SynRoute: A Retrosynthetic Planning Software.
Latendresse M, Malerich JP, Herson J, Krummenacker M, Szeto J, Vu VA, Collins N, Madrid PB. Latendresse M, et al. Among authors: madrid pb. J Chem Inf Model. 2023 Sep 11;63(17):5484-5495. doi: 10.1021/acs.jcim.3c00491. Epub 2023 Aug 27. J Chem Inf Model. 2023. PMID: 37635298 Free PMC article.
A high-throughput fluorescence polarization assay for inhibitors of gyrase B.
Glaser BT, Malerich JP, Duellman SJ, Fong J, Hutson C, Fine RM, Keblansky B, Tang MJ, Madrid PB. Glaser BT, et al. Among authors: madrid pb. J Biomol Screen. 2011 Feb;16(2):230-8. doi: 10.1177/1087057110392038. Epub 2011 Jan 18. J Biomol Screen. 2011. PMID: 21245469 Free PMC article.
UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV-Vis Spectra.
Urbina F, Batra K, Luebke KJ, White JD, Matsiev D, Olson LL, Malerich JP, Hupcey MAZ, Madrid PB, Ekins S. Urbina F, et al. Among authors: madrid pb. Anal Chem. 2021 Dec 7;93(48):16076-16085. doi: 10.1021/acs.analchem.1c03741. Epub 2021 Nov 23. Anal Chem. 2021. PMID: 34812602 Free PMC article.
Evaluation of gyrase B as a drug target in Mycobacterium tuberculosis.
Chopra S, Matsuyama K, Tran T, Malerich JP, Wan B, Franzblau SG, Lun S, Guo H, Maiga MC, Bishai WR, Madrid PB. Chopra S, et al. Among authors: madrid pb. J Antimicrob Chemother. 2012 Feb;67(2):415-21. doi: 10.1093/jac/dkr449. Epub 2011 Nov 2. J Antimicrob Chemother. 2012. PMID: 22052686 Free PMC article.
Mega-High-Throughput Screening Platform for the Discovery of Biologically Relevant Sequence-Defined Non-Natural Polymers.
Avital-Shmilovici M, Liu X, Shaler T, Lowenthal A, Bourbon P, Snider J, Tambo-Ong A, Repellin C, Yniguez K, Sambucetti L, Madrid PB, Collins N. Avital-Shmilovici M, et al. Among authors: madrid pb. ACS Cent Sci. 2022 Jan 26;8(1):86-101. doi: 10.1021/acscentsci.1c01041. Epub 2022 Jan 11. ACS Cent Sci. 2022. PMID: 35106376 Free PMC article.
Machine Learning Models Identify Inhibitors of SARS-CoV-2.
Gawriljuk VO, Zin PPK, Puhl AC, Zorn KM, Foil DH, Lane TR, Hurst B, Tavella TA, Costa FTM, Lakshmanane P, Bernatchez J, Godoy AS, Oliva G, Siqueira-Neto JL, Madrid PB, Ekins S. Gawriljuk VO, et al. Among authors: madrid pb. J Chem Inf Model. 2021 Sep 27;61(9):4224-4235. doi: 10.1021/acs.jcim.1c00683. Epub 2021 Aug 13. J Chem Inf Model. 2021. PMID: 34387990 Free PMC article.
Ebola Virus Bayesian Machine Learning Models Enable New in Vitro Leads.
Anantpadma M, Lane T, Zorn KM, Lingerfelt MA, Clark AM, Freundlich JS, Davey RA, Madrid PB, Ekins S. Anantpadma M, et al. Among authors: madrid pb. ACS Omega. 2019 Jan 31;4(1):2353-2361. doi: 10.1021/acsomega.8b02948. Epub 2019 Jan 30. ACS Omega. 2019. PMID: 30729228 Free PMC article.
45 results