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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. Among authors: wall me. 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.
Diffuse X-ray scattering to model protein motions.
Wall ME, Adams PD, Fraser JS, Sauter NK. Wall ME, et al. Structure. 2014 Feb 4;22(2):182-4. doi: 10.1016/j.str.2014.01.002. Structure. 2014. PMID: 24507780 Free PMC article.
Predicting X-ray diffuse scattering from translation-libration-screw structural ensembles.
Van Benschoten AH, Afonine PV, Terwilliger TC, Wall ME, Jackson CJ, Sauter NK, Adams PD, Urzhumtsev A, Fraser JS. Van Benschoten AH, et al. Among authors: wall me. Acta Crystallogr D Biol Crystallogr. 2015 Aug;71(Pt 8):1657-67. doi: 10.1107/S1399004715007415. Epub 2015 Jul 28. Acta Crystallogr D Biol Crystallogr. 2015. PMID: 26249347 Free PMC article.
Measuring and modeling diffuse scattering in protein X-ray crystallography.
Van Benschoten AH, Liu L, Gonzalez A, Brewster AS, Sauter NK, Fraser JS, Wall ME. Van Benschoten AH, et al. Among authors: wall me. Proc Natl Acad Sci U S A. 2016 Apr 12;113(15):4069-74. doi: 10.1073/pnas.1524048113. Epub 2016 Mar 28. Proc Natl Acad Sci U S A. 2016. PMID: 27035972 Free PMC article.
Bringing diffuse X-ray scattering into focus.
Wall ME, Wolff AM, Fraser JS. Wall ME, et al. Curr Opin Struct Biol. 2018 Jun;50:109-116. doi: 10.1016/j.sbi.2018.01.009. Epub 2018 Feb 16. Curr Opin Struct Biol. 2018. PMID: 29455056 Free PMC article. Review.
Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Dasgupta M, Budday D, de Oliveira SHP, Madzelan P, Marchany-Rivera D, Seravalli J, Hayes B, Sierra RG, Boutet S, Hunter MS, Alonso-Mori R, Batyuk A, Wierman J, Lyubimov A, Brewster AS, Sauter NK, Applegate GA, Tiwari VK, Berkowitz DB, Thompson MC, Cohen AE, Fraser JS, Wall ME, van den Bedem H, Wilson MA. Dasgupta M, et al. Among authors: wall me. Proc Natl Acad Sci U S A. 2019 Dec 17;116(51):25634-25640. doi: 10.1073/pnas.1901864116. Epub 2019 Dec 4. Proc Natl Acad Sci U S A. 2019. PMID: 31801874 Free PMC article.
255 results