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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: malerich jp. 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.
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: malerich jp. 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.
Accurate atom-mapping computation for biochemical reactions.
Latendresse M, Malerich JP, Travers M, Karp PD. Latendresse M, et al. Among authors: malerich jp. J Chem Inf Model. 2012 Nov 26;52(11):2970-82. doi: 10.1021/ci3002217. Epub 2012 Oct 15. J Chem Inf Model. 2012. PMID: 22963657
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: malerich jp. 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.
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: malerich jp. 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.
17 results