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Tuning HERG out: antitarget QSAR models for drug development.
Braga RC, Alves VM, Silva MF, Muratov E, Fourches D, Tropsha A, Andrade CH. Braga RC, et al. Curr Top Med Chem. 2014;14(11):1399-415. doi: 10.2174/1568026614666140506124442. Curr Top Med Chem. 2014. PMID: 24805060 Free PMC article.
Open drug discovery for the Zika virus.
Ekins S, Mietchen D, Coffee M, Stratton TP, Freundlich JS, Freitas-Junior L, Muratov E, Siqueira-Neto J, Williams AJ, Andrade C. Ekins S, et al. F1000Res. 2016 Feb 9;5:150. doi: 10.12688/f1000research.8013.1. eCollection 2016. F1000Res. 2016. PMID: 27134728 Free PMC article.
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.
Melo-Filho CC, Dantas RF, Braga RC, Neves BJ, Senger MR, Valente WC, Rezende-Neto JM, Chaves WT, Muratov EN, Paveley RA, Furnham N, Kamentsky L, Carpenter AE, Silva-Junior FP, Andrade CH. Melo-Filho CC, et al. Among authors: muratov en. J Chem Inf Model. 2016 Jul 25;56(7):1357-72. doi: 10.1021/acs.jcim.6b00055. Epub 2016 Jun 16. J Chem Inf Model. 2016. PMID: 27253773 Free PMC article.
Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening.
Neves BJ, Dantas RF, Senger MR, Melo-Filho CC, Valente WC, de Almeida AC, Rezende-Neto JM, Lima EF, Paveley R, Furnham N, Muratov E, Kamentsky L, Carpenter AE, Braga RC, Silva-Junior FP, Andrade CH. Neves BJ, et al. J Med Chem. 2016 Aug 11;59(15):7075-88. doi: 10.1021/acs.jmedchem.5b02038. Epub 2016 Jul 22. J Med Chem. 2016. PMID: 27396732 Free PMC article.
145 results