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CCP4 Cloud for structure determination and project management in macromolecular crystallography.
Krissinel E, Lebedev AA, Uski V, Ballard CB, Keegan RM, Kovalevskiy O, Nicholls RA, Pannu NS, Skubák P, Berrisford J, Fando M, Lohkamp B, Wojdyr M, Simpkin AJ, Thomas JMH, Oliver C, Vonrhein C, Chojnowski G, Basle A, Purkiss A, Isupov MN, McNicholas S, Lowe E, Triviño J, Cowtan K, Agirre J, Rigden DJ, Uson I, Lamzin V, Tews I, Bricogne G, Leslie AGW, Brown DG. Krissinel E, et al. Among authors: nicholls ra. Acta Crystallogr D Struct Biol. 2022 Sep 1;78(Pt 9):1079-1089. doi: 10.1107/S2059798322007987. Epub 2022 Aug 30. Acta Crystallogr D Struct Biol. 2022. PMID: 36048148 Free PMC article.
REFMAC5 for the refinement of macromolecular crystal structures.
Murshudov GN, Skubák P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. Murshudov GN, et al. Among authors: nicholls ra. Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):355-67. doi: 10.1107/S0907444911001314. Epub 2011 Mar 18. Acta Crystallogr D Biol Crystallogr. 2011. PMID: 21460454 Free PMC article.
Low-resolution refinement tools in REFMAC5.
Nicholls RA, Long F, Murshudov GN. Nicholls RA, et al. Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):404-17. doi: 10.1107/S090744491105606X. Epub 2012 Mar 16. Acta Crystallogr D Biol Crystallogr. 2012. PMID: 22505260 Free PMC article.
AceDRG: a stereochemical description generator for ligands.
Long F, Nicholls RA, Emsley P, Graǽulis S, Merkys A, Vaitkus A, Murshudov GN. Long F, et al. Among authors: nicholls ra. Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):112-122. doi: 10.1107/S2059798317000067. Epub 2017 Feb 1. Acta Crystallogr D Struct Biol. 2017. PMID: 28177307 Free PMC article.
Ligand fitting with CCP4.
Nicholls RA. Nicholls RA. Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):158-170. doi: 10.1107/S2059798316020143. Epub 2017 Feb 1. Acta Crystallogr D Struct Biol. 2017. PMID: 28177312 Free PMC article.
34 results