Ekins S - Search Results

1

Addressing the Metabolic Stability of Antituberculars through Machine Learning.

Stratton TP, Perryman AL, Vilchèze C, Russo R, Li SG, Patel JS, Singleton E, Ekins S, Connell N, Jacobs WR Jr, Freundlich JS. Stratton TP, et al. Among authors: ekins s. ACS Med Chem Lett. 2017 Sep 14;8(10):1099-1104. doi: 10.1021/acsmedchemlett.7b00299. eCollection 2017 Oct 12. ACS Med Chem Lett. 2017. PMID: 29057058 Free PMC article.

2

Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery.

Ekins S, Freundlich JS, Choi I, Sarker M, Talcott C. Ekins S, et al. Trends Microbiol. 2011 Feb;19(2):65-74. doi: 10.1016/j.tim.2010.10.005. Epub 2010 Dec 2. Trends Microbiol. 2011. PMID: 21129975 Free PMC article. Review.

3

In silico repositioning of approved drugs for rare and neglected diseases.

Ekins S, Williams AJ, Krasowski MD, Freundlich JS. Ekins S, et al. Drug Discov Today. 2011 Apr;16(7-8):298-310. doi: 10.1016/j.drudis.2011.02.016. Epub 2011 Mar 1. Drug Discov Today. 2011. PMID: 21376136 Review.

4

Validating new tuberculosis computational models with public whole cell screening aerobic activity datasets.

Ekins S, Freundlich JS. Ekins S, et al. Pharm Res. 2011 Aug;28(8):1859-69. doi: 10.1007/s11095-011-0413-x. Epub 2011 Mar 10. Pharm Res. 2011. PMID: 21547522

5

Combining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against Mycobacterium tuberculosis.

Sarker M, Talcott C, Madrid P, Chopra S, Bunin BA, Lamichhane G, Freundlich JS, Ekins S. Sarker M, et al. Among authors: ekins s. Pharm Res. 2012 Aug;29(8):2115-27. doi: 10.1007/s11095-012-0741-5. Epub 2012 Apr 4. Pharm Res. 2012. PMID: 22477069 Free PMC article.

6

Novel diaryl ureas with efficacy in a mouse model of malaria.

Anderson JW, Sarantakis D, Terpinski J, Kumar TR, Tsai HC, Kuo M, Ager AL, Jacobs WR Jr, Schiehser GA, Ekins S, Sacchettini JC, Jacobus DP, Fidock DA, Freundlich JS. Anderson JW, et al. Among authors: ekins s. Bioorg Med Chem Lett. 2013 Feb 15;23(4):1022-5. doi: 10.1016/j.bmcl.2012.12.022. Epub 2012 Dec 20. Bioorg Med Chem Lett. 2013. PMID: 23313245 Free PMC article.

7

Bayesian models leveraging bioactivity and cytotoxicity information for drug discovery.

Ekins S, Reynolds RC, Kim H, Koo MS, Ekonomidis M, Talaue M, Paget SD, Woolhiser LK, Lenaerts AJ, Bunin BA, Connell N, Freundlich JS. Ekins S, et al. Chem Biol. 2013 Mar 21;20(3):370-8. doi: 10.1016/j.chembiol.2013.01.011. Chem Biol. 2013. PMID: 23521795 Free PMC article.

8

Computational models for tuberculosis drug discovery.

Ekins S, Freundlich JS. Ekins S, et al. Methods Mol Biol. 2013;993:245-62. doi: 10.1007/978-1-62703-342-8_16. Methods Mol Biol. 2013. PMID: 23568475 Review.

9

Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian models.

Ekins S, Reynolds RC, Franzblau SG, Wan B, Freundlich JS, Bunin BA. Ekins S, et al. PLoS One. 2013 May 7;8(5):e63240. doi: 10.1371/journal.pone.0063240. Print 2013. PLoS One. 2013. PMID: 23667592 Free PMC article.

10

Computational models for neglected diseases: gaps and opportunities.

Ponder EL, Freundlich JS, Sarker M, Ekins S. Ponder EL, et al. Among authors: ekins s. Pharm Res. 2014 Feb;31(2):271-7. doi: 10.1007/s11095-013-1170-9. Epub 2013 Aug 30. Pharm Res. 2014. PMID: 23990313

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