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Page 1
Thoughts for the future.
Alkhalaf LM, Arrowsmith C, Balskus EP, Bergamini G, Bhandari R, Chang CJ, Chen P, Chen X, Ciulli A, Cricco JA, Davis BG, Delbianco M, Dudareva N, Dueber E, Ferguson F, de Giuseppe PO, Hamachi I, Hammond MC, Hatzios SK, Do Heo W, Janet JP, Kamat SS, Knapp S, Krishnan Y, Lang K, Laraia L, Leveson-Gower RB, Li XD, Liu DR, Liu MF, London N, Mahanta N, Mayor-Ruiz C, Muir T, Murakami MT, Rhee HW, Robers M, Satz A, Schulman BA, Shen B, Shoichet B, Strauss E, Suzuki T, Tiwary P, Waldmann H, Ward TR, Weeks A, Weerapana E, Winter G. Alkhalaf LM, et al. Among authors: janet jp. Nat Chem Biol. 2025 Jan;21(1):6-15. doi: 10.1038/s41589-024-01802-2. Nat Chem Biol. 2025. PMID: 39719500 No abstract available.
Human-in-the-loop active learning for goal-oriented molecule generation.
Nahal Y, Menke J, Martinelli J, Heinonen M, Kabeshov M, Janet JP, Nittinger E, Engkvist O, Kaski S. Nahal Y, et al. Among authors: janet jp. J Cheminform. 2024 Dec 9;16(1):138. doi: 10.1186/s13321-024-00924-y. J Cheminform. 2024. PMID: 39654043 Free PMC article.
HSQC Spectra Simulation and Matching for Molecular Identification.
Priessner M, Lewis RJ, Johansson MJ, Goodman JM, Janet JP, Tomberg A. Priessner M, et al. Among authors: janet jp. J Chem Inf Model. 2024 Apr 22;64(8):3180-3191. doi: 10.1021/acs.jcim.3c01735. Epub 2024 Mar 27. J Chem Inf Model. 2024. PMID: 38533705
Reinvent 4: Modern AI-driven generative molecule design.
Loeffler HH, He J, Tibo A, Janet JP, Voronov A, Mervin LH, Engkvist O. Loeffler HH, et al. Among authors: janet jp. J Cheminform. 2024 Feb 21;16(1):20. doi: 10.1186/s13321-024-00812-5. J Cheminform. 2024. PMID: 38383444 Free PMC article.
Combining structural and coevolution information to unveil allosteric sites.
La Sala G, Pfleger C, Käck H, Wissler L, Nevin P, Böhm K, Janet JP, Schimpl M, Stubbs CJ, De Vivo M, Tyrchan C, Hogner A, Gohlke H, Frolov AI. La Sala G, et al. Among authors: janet jp. Chem Sci. 2023 Jun 8;14(25):7057-7067. doi: 10.1039/d2sc06272k. eCollection 2023 Jun 28. Chem Sci. 2023. PMID: 37389247 Free PMC article.
29 results