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Teaching NMR spectra analysis with nmr.cheminfo.org.

Patiny L, Bolaños A, Castillo AM, Bernal A, Wist J. Patiny L, et al. Magn Reson Chem. 2018 Jun;56(6):529-534. doi: 10.1002/mrc.4733. Epub 2018 Apr 19. Magn Reson Chem. 2018. PMID: 29582456

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A biosensor for measuring NAD⁺ levels at the point of care.

Yu Q, Pourmandi N, Xue L, Gondrand C, Fabritz S, Bardy D, Patiny L, Katsyuba E, Auwerx J, Johnsson K. Yu Q, et al. Among authors: patiny l. Nat Metab. 2019 Dec;1(12):1219-1225. doi: 10.1038/s42255-019-0151-7. Epub 2019 Dec 13. Nat Metab. 2019. PMID: 32694678

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Aom² S: A new web-based application for DNA/RNA tandem mass spectrometry data interpretation.

Ortiz D, Gasilova N, Sepulveda F, Patiny L, Dyson PJ, Menin L. Ortiz D, et al. Among authors: patiny l. Rapid Commun Mass Spectrom. 2020 Dec 15;34(23):e8927. doi: 10.1002/rcm.8927. Rapid Commun Mass Spectrom. 2020. PMID: 32812285

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Augmenting Research, Education, and Outreach with Client-Side Web Programming.

Abriata LA, Rodrigues JPGLM, Salathé M, Patiny L. Abriata LA, et al. Among authors: patiny l. Trends Biotechnol. 2018 May;36(5):473-476. doi: 10.1016/j.tibtech.2017.11.009. Epub 2017 Dec 15. Trends Biotechnol. 2018. PMID: 29254737 Free PMC article.

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MSPolyCalc: A web-based App for polymer mass spectrometry data interpretation. The case study of a pharmaceutical excipient.

Desport JS, Frache G, Patiny L. Desport JS, et al. Among authors: patiny l. Rapid Commun Mass Spectrom. 2020 Aug;34 Suppl 2:e8652. doi: 10.1002/rcm.8652. Epub 2020 Feb 8. Rapid Commun Mass Spectrom. 2020. PMID: 31715638

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Bioluminescent sensor proteins for point-of-care therapeutic drug monitoring.

Griss R, Schena A, Reymond L, Patiny L, Werner D, Tinberg CE, Baker D, Johnsson K. Griss R, et al. Among authors: patiny l. Nat Chem Biol. 2014 Jul;10(7):598-603. doi: 10.1038/nchembio.1554. Epub 2014 Jun 8. Nat Chem Biol. 2014. PMID: 24907901

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Versatile Tool for the Analysis of Metal-Protein Interactions Reveals the Promiscuity of Metallodrug-Protein Interactions.

Lee RFS, Menin L, Patiny L, Ortiz D, Dyson PJ. Lee RFS, et al. Among authors: patiny l. Anal Chem. 2017 Nov 21;89(22):11985-11989. doi: 10.1021/acs.analchem.7b02211. Epub 2017 Nov 2. Anal Chem. 2017. PMID: 29053254

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The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public.

Patiny L, Zasso M, Kostro D, Bernal A, Castillo AM, Bolaños A, Asencio MA, Pellet N, Todd M, Schloerer N, Kuhn S, Holmes E, Javor S, Wist J. Patiny L, et al. Magn Reson Chem. 2018 Jun;56(6):520-528. doi: 10.1002/mrc.4669. Epub 2017 Nov 3. Magn Reson Chem. 2018. PMID: 28981966

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Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.

Williamson AE, Ylioja PM, Robertson MN, Antonova-Koch Y, Avery V, Baell JB, Batchu H, Batra S, Burrows JN, Bhattacharyya S, Calderon F, Charman SA, Clark J, Crespo B, Dean M, Debbert SL, Delves M, Dennis AS, Deroose F, Duffy S, Fletcher S, Giaever G, Hallyburton I, Gamo FJ, Gebbia M, Guy RK, Hungerford Z, Kirk K, Lafuente-Monasterio MJ, Lee A, Meister S, Nislow C, Overington JP, Papadatos G, Patiny L, Pham J, Ralph SA, Ruecker A, Ryan E, Southan C, Srivastava K, Swain C, Tarnowski MJ, Thomson P, Turner P, Wallace IM, Wells TN, White K, White L, Willis P, Winzeler EA, Wittlin S, Todd MH. Williamson AE, et al. Among authors: patiny l. ACS Cent Sci. 2016 Oct 26;2(10):687-701. doi: 10.1021/acscentsci.6b00086. Epub 2016 Sep 14. ACS Cent Sci. 2016. PMID: 27800551 Free PMC article.

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How accurately can we predict the melting points of drug-like compounds?

Tetko IV, Sushko Y, Novotarskyi S, Patiny L, Kondratov I, Petrenko AE, Charochkina L, Asiri AM. Tetko IV, et al. Among authors: patiny l. J Chem Inf Model. 2014 Dec 22;54(12):3320-9. doi: 10.1021/ci5005288. Epub 2014 Dec 9. J Chem Inf Model. 2014. PMID: 25489863 Free PMC article.

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