Duran-Frigola M - Search Results

1

The Chemical Space Spanned by Manually Curated Datasets of Natural and Synthetic Compounds with Activities against SARS-CoV-2.

Betow JY, Turon G, Metuge CS, Akame S, Shu VA, Ebob OT, Duran-Frigola M, Ntie-Kang F. Betow JY, et al. Among authors: duran frigola m. Mol Inform. 2024 Nov 23:e202400293. doi: 10.1002/minf.202400293. Online ahead of print. Mol Inform. 2024. PMID: 39578963

2

The workshops on computational applications in secondary metabolite discovery (CAiSMD).

Ntie-Kang F, Eni DB, Telukunta KK, Osamor VC, Egieyeh SA, Duran-Frigola M, Mishra P, Shadrack DM, Paul L, Musyoka TM, Blin K, Farid MM, Chen Y, Djogang LK, Betow JY, Ibezim A, Joshi D, Edwin AT, Chama MA, Ongagna JM, Kemdoum Sinda PV, Metuge JA, Bekono BD, Isa MA, Medina-Franco JL, Weber T, Dorrestein PC, Janezic D, Bishop ÖT, Ludwig-Müller J. Ntie-Kang F, et al. Among authors: duran frigola m. Phys Sci Rev. 2024 May 8;9(10):3289-3304. doi: 10.1515/psr-2024-0015. eCollection 2024 Oct. Phys Sci Rev. 2024. PMID: 39478877 Free PMC article. Review.

3

Open Source Code Contributions to Global Health: The Case of Antimalarial Drug Discovery.

Turon G, Tse E, Qiu X, Todd M, Duran-Frigola M. Turon G, et al. Among authors: duran frigola m. ACS Med Chem Lett. 2024 Aug 1;15(9):1645-1650. doi: 10.1021/acsmedchemlett.4c00131. eCollection 2024 Sep 12. ACS Med Chem Lett. 2024. PMID: 39291016

4

Infectious Disease Research Laboratories in Africa Are Not Using AI Yet─Large Language Models May Facilitate Adoption.

Turon G, Arora D, Duran-Frigola M. Turon G, et al. Among authors: duran frigola m. ACS Infect Dis. 2024 Sep 13;10(9):3083-3085. doi: 10.1021/acsinfecdis.4c00585. Epub 2024 Aug 1. ACS Infect Dis. 2024. PMID: 39090807 No abstract available.

5

Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells.

Offensperger F, Tin G, Duran-Frigola M, Hahn E, Dobner S, Ende CWA, Strohbach JW, Rukavina A, Brennsteiner V, Ogilvie K, Marella N, Kladnik K, Ciuffa R, Majmudar JD, Field SD, Bensimon A, Ferrari L, Ferrada E, Ng A, Zhang Z, Degliesposti G, Boeszoermenyi A, Martens S, Stanton R, Müller AC, Hannich JT, Hepworth D, Superti-Furga G, Kubicek S, Schenone M, Winter GE. Offensperger F, et al. Among authors: duran frigola m. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26. Science. 2024. PMID: 38662832

6

AI can help to tailor drugs for Africa - but Africans should lead the way.

Turon G, Njoroge M, Mulubwa M, Duran-Frigola M, Chibale K. Turon G, et al. Among authors: duran frigola m. Nature. 2024 Apr;628(8007):265-267. doi: 10.1038/d41586-024-01001-y. Nature. 2024. PMID: 38594395 No abstract available.

7

Machine Learning Approaches Identify Chemical Features for Stage-Specific Antimalarial Compounds.

van Heerden A, Turon G, Duran-Frigola M, Pillay N, Birkholtz LM. van Heerden A, et al. Among authors: duran frigola m. ACS Omega. 2023 Nov 7;8(46):43813-43826. doi: 10.1021/acsomega.3c05664. eCollection 2023 Nov 21. ACS Omega. 2023. PMID: 38027377 Free PMC article.

8

Endothelial transcriptomic analysis identifies biomarkers of severe and cerebral malaria.

Gomes C, Varo R, Duran-Frigola M, Sitoe A, Bila R, Machevo S, Mayor A, Bassat Q, Rodriguez A. Gomes C, et al. Among authors: duran frigola m. JCI Insight. 2023 Nov 22;8(22):e172845. doi: 10.1172/jci.insight.172845. JCI Insight. 2023. PMID: 37788095 Free PMC article.

9

First fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa.

Turon G, Hlozek J, Woodland JG, Kumar A, Chibale K, Duran-Frigola M. Turon G, et al. Among authors: duran frigola m. Nat Commun. 2023 Sep 15;14(1):5736. doi: 10.1038/s41467-023-41512-2. Nat Commun. 2023. PMID: 37714843 Free PMC article.

10

Xanthine oxidase levels and immune dysregulation are independently associated with anemia in Plasmodium falciparum malaria.

Vasquez M, Sica M, Namazzi R, Opoka RO, Sherman J, Datta D, Duran-Frigola M, Ssenkusu JM, John CC, Conroy AL, Rodriguez A. Vasquez M, et al. Among authors: duran frigola m. Sci Rep. 2023 Sep 7;13(1):14720. doi: 10.1038/s41598-023-41764-4. Sci Rep. 2023. PMID: 37679382 Free PMC article.

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