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Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-β-thiophenylacrylamides exerts highly selective antifungal activity.
Puumala E, Sychantha D, Lach E, Reeves S, Nabeela S, Fogal M, Nigam A, Johnson JW, Aspuru-Guzik A, Shapiro RS, Uppuluri P, Kalyaanamoorthy S, Magolan J, Whitesell L, Robbins N, Wright GD, Cowen LE. Puumala E, et al. Among authors: nigam a. Cell Chem Biol. 2024 Apr 18;31(4):760-775.e17. doi: 10.1016/j.chembiol.2024.01.010. Epub 2024 Feb 22. Cell Chem Biol. 2024. PMID: 38402621 Free article.
Data-Driven Strategies for Accelerated Materials Design.
Pollice R, Dos Passos Gomes G, Aldeghi M, Hickman RJ, Krenn M, Lavigne C, Lindner-D'Addario M, Nigam A, Ser CT, Yao Z, Aspuru-Guzik A. Pollice R, et al. Among authors: nigam a. Acc Chem Res. 2021 Feb 16;54(4):849-860. doi: 10.1021/acs.accounts.0c00785. Epub 2021 Feb 2. Acc Chem Res. 2021. PMID: 33528245 Free PMC article.
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis.
Gensch T, Dos Passos Gomes G, Friederich P, Peters E, Gaudin T, Pollice R, Jorner K, Nigam A, Lindner-D'Addario M, Sigman MS, Aspuru-Guzik A. Gensch T, et al. Among authors: nigam a. J Am Chem Soc. 2022 Jan 26;144(3):1205-1217. doi: 10.1021/jacs.1c09718. Epub 2022 Jan 12. J Am Chem Soc. 2022. PMID: 35020383
Assigning confidence to molecular property prediction.
Nigam A, Pollice R, Hurley MFD, Hickman RJ, Aldeghi M, Yoshikawa N, Chithrananda S, Voelz VA, Aspuru-Guzik A. Nigam A, et al. Expert Opin Drug Discov. 2021 Sep;16(9):1009-1023. doi: 10.1080/17460441.2021.1925247. Epub 2021 Jun 15. Expert Opin Drug Discov. 2021. PMID: 34126827 Free PMC article.
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors.
Nigam A, Hurley MFD, Li F, Konkoľová E, Klíma M, Trylčová J, Pollice R, Çinaroğlu SS, Levin-Konigsberg R, Handjaya J, Schapira M, Chau I, Perveen S, Ng HL, Ümit Kaniskan H, Han Y, Singh S, Gorgulla C, Kundaje A, Jin J, Voelz VA, Weber J, Nencka R, Boura E, Vedadi M, Aspuru-Guzik A. Nigam A, et al. bioRxiv [Preprint]. 2024 Jan 13:2023.10.03.560722. doi: 10.1101/2023.10.03.560722. bioRxiv. 2024. PMID: 37873443 Free PMC article. Preprint.
On scientific understanding with artificial intelligence.
Krenn M, Pollice R, Guo SY, Aldeghi M, Cervera-Lierta A, Friederich P, Dos Passos Gomes G, Häse F, Jinich A, Nigam A, Yao Z, Aspuru-Guzik A. Krenn M, et al. Among authors: nigam a. Nat Rev Phys. 2022;4(12):761-769. doi: 10.1038/s42254-022-00518-3. Epub 2022 Oct 11. Nat Rev Phys. 2022. PMID: 36247217 Free PMC article. Review.
609 results