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14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.
Jablonka KM, Ai Q, Al-Feghali A, Badhwar S, Bocarsly JD, Bran AM, Bringuier S, Brinson LC, Choudhary K, Circi D, Cox S, de Jong WA, Evans ML, Gastellu N, Genzling J, Gil MV, Gupta AK, Hong Z, Imran A, Kruschwitz S, Labarre A, Lála J, Liu T, Ma S, Majumdar S, Merz GW, Moitessier N, Moubarak E, Mouriño B, Pelkie B, Pieler M, Ramos MC, Ranković B, Rodriques SG, Sanders JN, Schwaller P, Schwarting M, Shi J, Smit B, Smith BE, Van Herck J, Völker C, Ward L, Warren S, Weiser B, Zhang S, Zhang X, Zia GA, Scourtas A, Schmidt KJ, Foster I, White AD, Blaiszik B. Jablonka KM, et al. Among authors: labarre a. Digit Discov. 2023 Aug 8;2(5):1233-1250. doi: 10.1039/d3dd00113j. eCollection 2023 Oct 9. Digit Discov. 2023. PMID: 38013906 Free PMC article. Review.
Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors.
Stille JK, Tjutrins J, Wang G, Venegas FA, Hennecker C, Rueda AM, Sharon I, Blaine N, Miron CE, Pinus S, Labarre A, Plescia J, Burai Patrascu M, Zhang X, Wahba AS, Vlaho D, Huot MJ, Schmeing TM, Mittermaier AK, Moitessier N. Stille JK, et al. Among authors: labarre a. Eur J Med Chem. 2022 Feb 5;229:114046. doi: 10.1016/j.ejmech.2021.114046. Epub 2021 Dec 11. Eur J Med Chem. 2022. PMID: 34995923 Free PMC article.
Zanubrutinib, Obinutuzumab, and Venetoclax for First-Line Treatment of Mantle Cell Lymphoma with a TP53 Mutation.
Kumar A, Soumerai JD, Abramson JS, Barnes JA, Caron PC, Chhabra S, Chabowska M, Dogan A, Falchi L, Grieve C, Haydu JE, Johnson PC, Joseph A, Kelly H, Labarre A, Lue JK, Martignetti R, Mi J, Moskowitz AJ, Owens CN, Plummer S, Puccio M, Salles GA, Seshan VE, Simkins E, Slupe N, Zhang H, Zelenetz AD. Kumar A, et al. Among authors: labarre a. Blood. 2024 Oct 22:blood.2024025563. doi: 10.1182/blood.2024025563. Online ahead of print. Blood. 2024. PMID: 39437708 Free article.
Neuronal lipid droplets play a conserved and sex-biased role in maintaining whole-body energy homeostasis.
Manceau R, Majeur D, Cherian CM, Miller CJ, Wat LW, Fisher JD, Labarre A, Hollman S, Prakash S, Audet S, Chao CF, Depaauw-Holt L, Rogers B, Bosson A, Xi JJY, Callow CAS, Yoosefi N, Shahraki N, Xia YH, Hui A, VanderZwaag J, Bouyakdan K, Rodaros D, Kotchetkov P, Daneault C, Fallahpour G, Tetreault M, Tremblay MÈ, Ruiz M, Lacoste B, Parker JA, Murphy-Royal C, Huan T, Fulton S, Rideout EJ, Alquier T. Manceau R, et al. Among authors: labarre a. bioRxiv [Preprint]. 2024 Sep 20:2024.09.19.613929. doi: 10.1101/2024.09.19.613929. bioRxiv. 2024. PMID: 39345476 Free PMC article. Preprint.
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