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139 results

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Page 1
Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
Greisman JB, Willmore L, Yeh CY, Giordanetto F, Shahamadtar S, Nisonoff H, Maragakis P, Shaw DE. Greisman JB, et al. Among authors: willmore l. J Chem Inf Model. 2023 May 8;63(9):2644-2650. doi: 10.1021/acs.jcim.3c00236. Epub 2023 Apr 22. J Chem Inf Model. 2023. PMID: 37086179 Free PMC article.
Fragment Hits: What do They Look Like and How do They Bind?
Giordanetto F, Jin C, Willmore L, Feher M, Shaw DE. Giordanetto F, et al. Among authors: willmore l. J Med Chem. 2019 Apr 11;62(7):3381-3394. doi: 10.1021/acs.jmedchem.8b01855. Epub 2019 Apr 1. J Med Chem. 2019. PMID: 30875465 Free PMC article.
Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
Taylor AM, Williams BR, Giordanetto F, Kelley EH, Lescarbeau A, Shortsleeves K, Tang Y, Walters WP, Arrazate A, Bowman C, Brophy E, Chan EW, Deshmukh G, Greisman JB, Hunsaker TL, Kipp DR, Saenz Lopez-Larrocha P, Maddalo D, Martin IJ, Maragakis P, Merchant M, Murcko M, Nisonoff H, Nguyen V, Nguyen V, Orozco O, Owen C, Pierce L, Schmidt M, Shaw DE, Smith S, Therrien E, Tran JC, Watters J, Waters NJ, Wilbur J, Willmore L. Taylor AM, et al. Among authors: willmore l. J Med Chem. 2023 Oct 12;66(19):13384-13399. doi: 10.1021/acs.jmedchem.3c00483. Epub 2023 Sep 29. J Med Chem. 2023. PMID: 37774359
Heightened lateral habenula activity during stress produces brainwide and behavioral substrates of susceptibility.
Zhukovskaya A, Christopher Z, Willmore L, Pan Vazquez A, Janarthanan S, Falkner A, Witten I. Zhukovskaya A, et al. Among authors: willmore l. bioRxiv [Preprint]. 2024 Jul 7:2023.11.06.565681. doi: 10.1101/2023.11.06.565681. bioRxiv. 2024. Update in: Neuron. 2024 Oct 7:S0896-6273(24)00657-3. doi: 10.1016/j.neuron.2024.09.009. PMID: 39005438 Free PMC article. Updated. Preprint.
Accurate structure prediction of biomolecular interactions with AlphaFold 3.
Abramson J, Adler J, Dunger J, Evans R, Green T, Pritzel A, Ronneberger O, Willmore L, Ballard AJ, Bambrick J, Bodenstein SW, Evans DA, Hung CC, O'Neill M, Reiman D, Tunyasuvunakool K, Wu Z, Žemgulytė A, Arvaniti E, Beattie C, Bertolli O, Bridgland A, Cherepanov A, Congreve M, Cowen-Rivers AI, Cowie A, Figurnov M, Fuchs FB, Gladman H, Jain R, Khan YA, Low CMR, Perlin K, Potapenko A, Savy P, Singh S, Stecula A, Thillaisundaram A, Tong C, Yakneen S, Zhong ED, Zielinski M, Žídek A, Bapst V, Kohli P, Jaderberg M, Hassabis D, Jumper JM. Abramson J, et al. Among authors: willmore l. Nature. 2024 Jun;630(8016):493-500. doi: 10.1038/s41586-024-07487-w. Epub 2024 May 8. Nature. 2024. PMID: 38718835 Free PMC article.
Behavioural and dopaminergic signatures of resilience.
Willmore L, Cameron C, Yang J, Witten IB, Falkner AL. Willmore L, et al. Nature. 2022 Nov;611(7934):124-132. doi: 10.1038/s41586-022-05328-2. Epub 2022 Oct 19. Nature. 2022. PMID: 36261520 Free PMC article.
139 results