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Cryo-EM structure of Alzheimer's disease tau filaments with PET ligand MK-6240.
Kunach P, Vaquer-Alicea J, Smith MS, Monistrol J, Hopewell R, Moquin L, Therriault J, Tissot C, Rahmouni N, Massarweh G, Soucy JP, Guiot MC, Shoichet BK, Rosa-Neto P, Diamond MI, Shahmoradian SH. Kunach P, et al. Among authors: smith ms. Nat Commun. 2024 Oct 1;15(1):8497. doi: 10.1038/s41467-024-52265-x. Nat Commun. 2024. PMID: 39353896 Free PMC article.
Cryo-EM structure of Alzheimer's disease tau filaments with PET ligand MK-6240.
Kunach P, Vaquer-Alicea J, Smith MS, Hopewell R, Monistrol J, Moquin L, Therriault J, Tissot C, Rahmouni N, Massarweh G, Soucy JP, Guiot MC, Shoichet BK, Rosa-Neto P, Diamond MI, Shahmoradian SH. Kunach P, et al. Among authors: smith ms. bioRxiv [Preprint]. 2023 Sep 22:2023.09.22.558671. doi: 10.1101/2023.09.22.558671. bioRxiv. 2023. Update in: Nat Commun. 2024 Oct 1;15(1):8497. doi: 10.1038/s41467-024-52265-x. PMID: 37790438 Free PMC article. Updated. Preprint.
Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.
Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK. Smith MS, et al. J Chem Inf Model. 2024 Jan 22;64(2):425-434. doi: 10.1021/acs.jcim.3c01749. Epub 2024 Jan 8. J Chem Inf Model. 2024. PMID: 38191997 Free PMC article.
Ligand Strain Energy in Large Library Docking.
Gu S, Smith MS, Yang Y, Irwin JJ, Shoichet BK. Gu S, et al. Among authors: smith ms. J Chem Inf Model. 2021 Sep 27;61(9):4331-4341. doi: 10.1021/acs.jcim.1c00368. Epub 2021 Sep 1. J Chem Inf Model. 2021. PMID: 34467754 Free PMC article.
The impact of Library Size and Scale of Testing on Virtual Screening.
Liu F, Mailhot O, Glenn IS, Vigneron SF, Bassim V, Xu X, Fonseca-Valencia K, Smith MS, Radchenko DS, Fraser JS, Moroz YS, Irwin JJ, Shoichet BK. Liu F, et al. Among authors: smith ms. bioRxiv [Preprint]. 2024 Jul 11:2024.07.08.602536. doi: 10.1101/2024.07.08.602536. bioRxiv. 2024. PMID: 39026784 Free PMC article. Preprint.
769 results