Vignaux PA - Search Results

1

Transporter Inhibition Profile for the Antivirals Tilorone, Quinacrine and Pyronaridine.

Vignaux PA, Lane TR, Puhl AC, Hau RK, Wright SH, Cherrington NJ, Ekins S. Vignaux PA, et al. ACS Omega. 2023 Mar 24;8(13):12532-12537. doi: 10.1021/acsomega.3c00724. eCollection 2023 Apr 4. ACS Omega. 2023. PMID: 37033868 Free PMC article.

2

Machine Learning for Discovery of GSK3β Inhibitors.

Vignaux PA, Minerali E, Foil DH, Puhl AC, Ekins S. Vignaux PA, et al. ACS Omega. 2020 Oct 12;5(41):26551-26561. doi: 10.1021/acsomega.0c03302. eCollection 2020 Oct 20. ACS Omega. 2020. PMID: 33110983 Free PMC article.

3

Computational Approaches to Identify Molecules Binding to Mycobacterium tuberculosis KasA.

Puhl AC, Lane TR, Vignaux PA, Zorn KM, Capodagli GC, Neiditch MB, Freundlich JS, Ekins S. Puhl AC, et al. Among authors: vignaux pa. ACS Omega. 2020 Nov 15;5(46):29935-29942. doi: 10.1021/acsomega.0c04271. eCollection 2020 Nov 24. ACS Omega. 2020. PMID: 33251429 Free PMC article.

4

The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase.

Vignaux PA, Minerali E, Lane TR, Foil DH, Madrid PB, Puhl AC, Ekins S. Vignaux PA, et al. Chem Res Toxicol. 2021 May 17;34(5):1296-1307. doi: 10.1021/acs.chemrestox.0c00466. Epub 2021 Jan 5. Chem Res Toxicol. 2021. PMID: 33400519 Free PMC article.

5

Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species.

Vignaux PA, Lane TR, Urbina F, Gerlach J, Puhl AC, Snyder SH, Ekins S. Vignaux PA, et al. Chem Res Toxicol. 2023 Feb 20;36(2):188-201. doi: 10.1021/acs.chemrestox.2c00283. Epub 2023 Feb 3. Chem Res Toxicol. 2023. PMID: 36737043 Free PMC article.

6

Human CYP2C19 Substrate and Inhibitor Characterization of Organophosphate Pesticides.

Vignaux PA, Shriwas P, Revnew A, Agarwal G, Lane TR, McElroy CA, Ekins S. Vignaux PA, et al. Chem Res Toxicol. 2023 Sep 18;36(9):1451-1455. doi: 10.1021/acs.chemrestox.3c00188. Epub 2023 Aug 31. Chem Res Toxicol. 2023. PMID: 37650603

7

Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors.

Ozalp MK, Vignaux PA, Puhl AC, Lane TR, Urbina F, Ekins S. Ozalp MK, et al. Among authors: vignaux pa. J Chem Inf Model. 2024 Apr 22;64(8):3161-3172. doi: 10.1021/acs.jcim.4c00397. Epub 2024 Mar 26. J Chem Inf Model. 2024. PMID: 38532612

8

The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications.

Snyder SH, Vignaux PA, Ozalp MK, Gerlach J, Puhl AC, Lane TR, Corbett J, Urbina F, Ekins S. Snyder SH, et al. Among authors: vignaux pa. Commun Chem. 2024 Jun 12;7(1):134. doi: 10.1038/s42004-024-01220-4. Commun Chem. 2024. PMID: 38866916 Free PMC article.

9

Contribution of promoter DNA sequence to heterochromatin formation velocity and memory of gene repression in mouse embryo fibroblasts.

Vignaux PA, Bregio C, Hathaway NA. Vignaux PA, et al. PLoS One. 2019 Jul 3;14(7):e0217699. doi: 10.1371/journal.pone.0217699. eCollection 2019. PLoS One. 2019. PMID: 31269077 Free PMC article.

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