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The CCP4 suite: integrative software for macromolecular crystallography.
Agirre J, Atanasova M, Bagdonas H, Ballard CB, Baslé A, Beilsten-Edmands J, Borges RJ, Brown DG, Burgos-Mármol JJ, Berrisford JM, Bond PS, Caballero I, Catapano L, Chojnowski G, Cook AG, Cowtan KD, Croll TI, Debreczeni JÉ, Devenish NE, Dodson EJ, Drevon TR, Emsley P, Evans G, Evans PR, Fando M, Foadi J, Fuentes-Montero L, Garman EF, Gerstel M, Gildea RJ, Hatti K, Hekkelman ML, Heuser P, Hoh SW, Hough MA, Jenkins HT, Jiménez E, Joosten RP, Keegan RM, Keep N, Krissinel EB, Kolenko P, Kovalevskiy O, Lamzin VS, Lawson DM, Lebedev AA, Leslie AGW, Lohkamp B, Long F, Malý M, McCoy AJ, McNicholas SJ, Medina A, Millán C, Murray JW, Murshudov GN, Nicholls RA, Noble MEM, Oeffner R, Pannu NS, Parkhurst JM, Pearce N, Pereira J, Perrakis A, Powell HR, Read RJ, Rigden DJ, Rochira W, Sammito M, Sánchez Rodríguez F, Sheldrick GM, Shelley KL, Simkovic F, Simpkin AJ, Skubak P, Sobolev E, Steiner RA, Stevenson K, Tews I, Thomas JMH, Thorn A, Valls JT, Uski V, Usón I, Vagin A, Velankar S, Vollmar M, Walden H, Waterman D, Wilson KS, Winn MD, Winter G, Wojdyr M, Yamashita K. Agirre J, et al. Among authors: waterman d. Acta Crystallogr D Struct Biol. 2023 Jun 1;79(Pt 6):449-461. doi: 10.1107/S2059798323003595. Epub 2023 May 30. Acta Crystallogr D Struct Biol. 2023. PMID: 37259835 Free PMC article.
dxtbx: the diffraction experiment toolbox.
Parkhurst JM, Brewster AS, Fuentes-Montero L, Waterman DG, Hattne J, Ashton AW, Echols N, Evans G, Sauter NK, Winter G. Parkhurst JM, et al. J Appl Crystallogr. 2014 Jul 19;47(Pt 4):1459-1465. doi: 10.1107/S1600576714011996. eCollection 2014 Aug 1. J Appl Crystallogr. 2014. PMID: 25242914 Free PMC article.
New methods for indexing multi-lattice diffraction data.
Gildea RJ, Waterman DG, Parkhurst JM, Axford D, Sutton G, Stuart DI, Sauter NK, Evans G, Winter G. Gildea RJ, et al. Among authors: waterman dg. Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2652-66. doi: 10.1107/S1399004714017039. Epub 2014 Sep 27. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 25286849 Free PMC article.
Diffraction-geometry refinement in the DIALS framework.
Waterman DG, Winter G, Gildea RJ, Parkhurst JM, Brewster AS, Sauter NK, Evans G. Waterman DG, et al. Acta Crystallogr D Struct Biol. 2016 Apr;72(Pt 4):558-75. doi: 10.1107/S2059798316002187. Epub 2016 Mar 30. Acta Crystallogr D Struct Biol. 2016. PMID: 27050135 Free PMC article.
The 1.1 Å resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Keegan R, Waterman DG, Hopper DJ, Coates L, Taylor G, Guo J, Coker AR, Erskine PT, Wood SP, Cooper JB. Keegan R, et al. Acta Crystallogr D Struct Biol. 2016 Aug;72(Pt 8):933-43. doi: 10.1107/S2059798316010433. Epub 2016 Jul 27. Acta Crystallogr D Struct Biol. 2016. PMID: 27487824
Robust background modelling in DIALS.
Parkhurst JM, Winter G, Waterman DG, Fuentes-Montero L, Gildea RJ, Murshudov GN, Evans G. Parkhurst JM, et al. J Appl Crystallogr. 2016 Oct 21;49(Pt 6):1912-1921. doi: 10.1107/S1600576716013595. eCollection 2016 Dec 1. J Appl Crystallogr. 2016. PMID: 27980508 Free PMC article.
119 results