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Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents.
Hochuli JE, Jain S, Melo-Filho C, Sessions ZL, Bobrowski T, Choe J, Zheng J, Eastman R, Talley DC, Rai G, Simeonov A, Tropsha A, Muratov EN, Baljinnyam B, Zakharov AV. Hochuli JE, et al. Among authors: tropsha a. bioRxiv [Preprint]. 2022 Mar 16:2022.03.15.484484. doi: 10.1101/2022.03.15.484484. bioRxiv. 2022. Update in: ACS Pharmacol Transl Sci. 2022 Jun 22;5(7):468-478. doi: 10.1021/acsptsci.2c00049 PMID: 35313579 Free PMC article. Updated. Preprint.
Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches.
Low Y, Uehara T, Minowa Y, Yamada H, Ohno Y, Urushidani T, Sedykh A, Muratov E, Kuz'min V, Fourches D, Zhu H, Rusyn I, Tropsha A. Low Y, et al. Among authors: tropsha a. Chem Res Toxicol. 2011 Aug 15;24(8):1251-62. doi: 10.1021/tx200148a. Epub 2011 Jul 21. Chem Res Toxicol. 2011. PMID: 21699217 Free PMC article.
Data set modelability by QSAR.
Golbraikh A, Muratov E, Fourches D, Tropsha A. Golbraikh A, et al. Among authors: tropsha a. J Chem Inf Model. 2014 Jan 27;54(1):1-4. doi: 10.1021/ci400572x. Epub 2014 Jan 8. J Chem Inf Model. 2014. PMID: 24251851 Free PMC article.
Curation of chemogenomics data.
Fourches D, Muratov E, Tropsha A. Fourches D, et al. Among authors: tropsha a. Nat Chem Biol. 2015 Aug;11(8):535. doi: 10.1038/nchembio.1881. Nat Chem Biol. 2015. PMID: 26196763 No abstract available.
277 results