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Molecular-dynamics simulation methods for macromolecular crystallography.
Wych DC, Aoto PC, Vu L, Wolff AM, Mobley DL, Fraser JS, Taylor SS, Wall ME. Wych DC, et al. Acta Crystallogr D Struct Biol. 2023 Jan 1;79(Pt 1):50-65. doi: 10.1107/S2059798322011871. Epub 2023 Jan 1. Acta Crystallogr D Struct Biol. 2023. PMID: 36601807 Free PMC article.
Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Smith N, Dasgupta M, Wych DC, Dolamore C, Sierra RG, Lisova S, Marchany-Rivera D, Cohen AE, Boutet S, Hunter MS, Kupitz C, Poitevin F, Moss FR 3rd, Brewster AS, Sauter NK, Young ID, Wolff AM, Tiwari VK, Kumar N, Berkowitz DB, Hadt RG, Thompson MC, Follmer AH, Wall ME, Wilson MA. Smith N, et al. Among authors: wych dc. bioRxiv [Preprint]. 2023 Aug 16:2023.08.15.553460. doi: 10.1101/2023.08.15.553460. bioRxiv. 2023. PMID: 37645800 Free PMC article. Preprint.
Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Smith N, Dasgupta M, Wych DC, Dolamore C, Sierra RG, Lisova S, Marchany-Rivera D, Cohen AE, Boutet S, Hunter MS, Kupitz C, Poitevin F, Moss FR 3rd, Mittan-Moreau DW, Brewster AS, Sauter NK, Young ID, Wolff AM, Tiwari VK, Kumar N, Berkowitz DB, Hadt RG, Thompson MC, Follmer AH, Wall ME, Wilson MA. Smith N, et al. Among authors: wych dc. Sci Adv. 2024 Mar 29;10(13):eadk7201. doi: 10.1126/sciadv.adk7201. Epub 2024 Mar 27. Sci Adv. 2024. PMID: 38536910 Free PMC article.