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Data Mining and Computational Modeling of High-Throughput Screening Datasets.
Methods Mol Biol. 2018;1755:197-221. doi: 10.1007/978-1-4939-7724-6_14.
Methods Mol Biol. 2018.
PMID: 29671272
Free PMC article.
A collaborative database and computational models for tuberculosis drug discovery.
Ekins S, Bradford J, Dole K, Spektor A, Gregory K, Blondeau D, Hohman M, Bunin BA.
Ekins S, et al.
Mol Biosyst. 2010 May;6(5):840-51. doi: 10.1039/b917766c. Epub 2010 Feb 9.
Mol Biosyst. 2010.
PMID: 20567770
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Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB).
Ekins S, Spektor AC, Clark AM, Dole K, Bunin BA.
Ekins S, et al. Among authors: spektor ac.
Drug Discov Today. 2017 Mar;22(3):555-565. doi: 10.1016/j.drudis.2016.10.009. Epub 2016 Nov 22.
Drug Discov Today. 2017.
PMID: 27884746
Free PMC article.
Review.
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Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis.
Ekins S, Kaneko T, Lipinski CA, Bradford J, Dole K, Spektor A, Gregory K, Blondeau D, Ernst S, Yang J, Goncharoff N, Hohman MM, Bunin BA.
Ekins S, et al.
Mol Biosyst. 2010 Nov;6(11):2316-2324. doi: 10.1039/c0mb00104j. Epub 2010 Sep 8.
Mol Biosyst. 2010.
PMID: 20835433
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