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Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. family GH3 β-D-glucosidases.
Agirre J, Ariza A, Offen WA, Turkenburg JP, Roberts SM, McNicholas S, Harris PV, McBrayer B, Dohnalek J, Cowtan KD, Davies GJ, Wilson KS. Agirre J, et al. Among authors: mcnicholas s. Acta Crystallogr D Struct Biol. 2016 Feb;72(Pt 2):254-65. doi: 10.1107/S2059798315024237. Epub 2016 Jan 28. Acta Crystallogr D Struct Biol. 2016. PMID: 26894673 Free PMC article.
Conformation-independent structural comparison of macromolecules with ProSMART.
Nicholls RA, Fischer M, McNicholas S, Murshudov GN. Nicholls RA, et al. Among authors: mcnicholas s. Acta Crystallogr D Biol Crystallogr. 2014 Sep;70(Pt 9):2487-99. doi: 10.1107/S1399004714016241. Epub 2014 Aug 29. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 25195761 Free PMC article.
Developments in the CCP4 molecular-graphics project.
Potterton L, McNicholas S, Krissinel E, Gruber J, Cowtan K, Emsley P, Murshudov GN, Cohen S, Perrakis A, Noble M. Potterton L, et al. Among authors: mcnicholas s. Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2288-94. doi: 10.1107/S0907444904023716. Epub 2004 Nov 26. Acta Crystallogr D Biol Crystallogr. 2004. PMID: 15572783
The CCP4 molecular-graphics project.
Potterton E, McNicholas S, Krissinel E, Cowtan K, Noble M. Potterton E, et al. Among authors: mcnicholas s. Acta Crystallogr D Biol Crystallogr. 2002 Nov;58(Pt 11):1955-7. doi: 10.1107/s0907444902015391. Epub 2002 Oct 21. Acta Crystallogr D Biol Crystallogr. 2002. PMID: 12393928
CCP4i2: the new graphical user interface to the CCP4 program suite.
Potterton L, Agirre J, Ballard C, Cowtan K, Dodson E, Evans PR, Jenkins HT, Keegan R, Krissinel E, Stevenson K, Lebedev A, McNicholas SJ, Nicholls RA, Noble M, Pannu NS, Roth C, Sheldrick G, Skubak P, Turkenburg J, Uski V, von Delft F, Waterman D, Wilson K, Winn M, Wojdyr M. Potterton L, et al. Among authors: mcnicholas sj. Acta Crystallogr D Struct Biol. 2018 Feb 1;74(Pt 2):68-84. doi: 10.1107/S2059798317016035. Epub 2018 Feb 1. Acta Crystallogr D Struct Biol. 2018. PMID: 29533233 Free PMC article.
Overview of the CCP4 suite and current developments.
Winn MD, Ballard CC, Cowtan KD, Dodson EJ, Emsley P, Evans PR, Keegan RM, Krissinel EB, Leslie AG, McCoy A, McNicholas SJ, Murshudov GN, Pannu NS, Potterton EA, Powell HR, Read RJ, Vagin A, Wilson KS. Winn MD, et al. Among authors: mcnicholas sj. Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):235-42. doi: 10.1107/S0907444910045749. Epub 2011 Mar 18. Acta Crystallogr D Biol Crystallogr. 2011. PMID: 21460441 Free PMC article.
Recent developments in MrBUMP: better search-model preparation, graphical interaction with search models, and solution improvement and assessment.
Keegan RM, McNicholas SJ, Thomas JMH, Simpkin AJ, Simkovic F, Uski V, Ballard CC, Winn MD, Wilson KS, Rigden DJ. Keegan RM, et al. Among authors: mcnicholas sj. Acta Crystallogr D Struct Biol. 2018 Mar 1;74(Pt 3):167-182. doi: 10.1107/S2059798318003455. Epub 2018 Mar 6. Acta Crystallogr D Struct Biol. 2018. PMID: 29533225 Free PMC article.
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