Ekins S - Search Results

1

Mycobacterium abscessus drug discovery using machine learning.

Schmalstig AA, Zorn KM, Murcia S, Robinson A, Savina S, Komarova E, Makarov V, Braunstein M, Ekins S. Schmalstig AA, et al. Among authors: ekins s. Tuberculosis (Edinb). 2022 Jan;132:102168. doi: 10.1016/j.tube.2022.102168. Epub 2022 Jan 20. Tuberculosis (Edinb). 2022. PMID: 35077930 Free PMC article.

2

The Collaborative Drug Discovery (CDD) database.

Ekins S, Bunin BA. Ekins S, et al. Methods Mol Biol. 2013;993:139-54. doi: 10.1007/978-1-62703-342-8_10. Methods Mol Biol. 2013. PMID: 23568469

3

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.

4

Curing TB with open science.

Ekins S, Williams AJ. Ekins S, et al. Tuberculosis (Edinb). 2014 Mar;94(2):183-5. doi: 10.1016/j.tube.2013.10.002. Epub 2013 Oct 24. Tuberculosis (Edinb). 2014. PMID: 24388836

5

Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis.

Ekins S, Casey AC, Roberts D, Parish T, Bunin BA. Ekins S, et al. Tuberculosis (Edinb). 2014 Mar;94(2):162-9. doi: 10.1016/j.tube.2013.12.001. Epub 2013 Dec 19. Tuberculosis (Edinb). 2014. PMID: 24440548 Free PMC article.

6

Are bigger data sets better for machine learning? Fusing single-point and dual-event dose response data for Mycobacterium tuberculosis.

Ekins S, Freundlich JS, Reynolds RC. Ekins S, et al. J Chem Inf Model. 2014 Jul 28;54(7):2157-65. doi: 10.1021/ci500264r. Epub 2014 Jul 17. J Chem Inf Model. 2014. PMID: 24968215 Free PMC article.

7

Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.

Mori G, Chiarelli LR, Esposito M, Makarov V, Bellinzoni M, Hartkoorn RC, Degiacomi G, Boldrin F, Ekins S, de Jesus Lopes Ribeiro AL, Marino LB, Centárová I, Svetlíková Z, Blaško J, Kazakova E, Lepioshkin A, Barilone N, Zanoni G, Porta A, Fondi M, Fani R, Baulard AR, Mikušová K, Alzari PM, Manganelli R, de Carvalho LP, Riccardi G, Cole ST, Pasca MR. Mori G, et al. Among authors: ekins s. Chem Biol. 2015 Jul 23;22(7):917-27. doi: 10.1016/j.chembiol.2015.05.016. Epub 2015 Jun 18. Chem Biol. 2015. PMID: 26097035 Free PMC article.

8

Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery.

Ekins S, de Siqueira-Neto JL, McCall LI, Sarker M, Yadav M, Ponder EL, Kallel EA, Kellar D, Chen S, Arkin M, Bunin BA, McKerrow JH, Talcott C. Ekins S, et al. PLoS Negl Trop Dis. 2015 Jun 26;9(6):e0003878. doi: 10.1371/journal.pntd.0003878. eCollection 2015. PLoS Negl Trop Dis. 2015. PMID: 26114876 Free PMC article.

9

Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.

Ekins S, Madrid PB, Sarker M, Li SG, Mittal N, Kumar P, Wang X, Stratton TP, Zimmerman M, Talcott C, Bourbon P, Travers M, Yadav M, Freundlich JS. Ekins S, et al. PLoS One. 2015 Oct 30;10(10):e0141076. doi: 10.1371/journal.pone.0141076. eCollection 2015. PLoS One. 2015. PMID: 26517557 Free PMC article.

10

Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I.

Ekins S, Godbole AA, Kéri G, Orfi L, Pato J, Bhat RS, Verma R, Bradley EK, Nagaraja V. Ekins S, et al. Tuberculosis (Edinb). 2017 Mar;103:52-60. doi: 10.1016/j.tube.2017.01.005. Epub 2017 Jan 20. Tuberculosis (Edinb). 2017. PMID: 28237034

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

371 results

Search Page