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Page 1
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: wojdyr m. 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.
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: wojdyr m. 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.
Modelling covalent linkages in CCP4.
Nicholls RA, Joosten RP, Long F, Wojdyr M, Lebedev A, Krissinel E, Catapano L, Fischer M, Emsley P, Murshudov GN. Nicholls RA, et al. Among authors: wojdyr m. Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):712-726. doi: 10.1107/S2059798321001753. Epub 2021 May 19. Acta Crystallogr D Struct Biol. 2021. PMID: 34076587 Free PMC article.
The missing link: covalent linkages in structural models.
Nicholls RA, Wojdyr M, Joosten RP, Catapano L, Long F, Fischer M, Emsley P, Murshudov GN. Nicholls RA, et al. Among authors: wojdyr m. Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):727-745. doi: 10.1107/S2059798321003934. Epub 2021 May 19. Acta Crystallogr D Struct Biol. 2021. PMID: 34076588 Free PMC article.
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: wojdyr m. 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.
GEMMI and Servalcat restrain REFMAC5.
Yamashita K, Wojdyr M, Long F, Nicholls RA, Murshudov GN. Yamashita K, et al. Among authors: wojdyr m. Acta Crystallogr D Struct Biol. 2023 May 1;79(Pt 5):368-373. doi: 10.1107/S2059798323002413. Epub 2023 May 4. Acta Crystallogr D Struct Biol. 2023. PMID: 37158197 Free PMC article.
SIMBAD: a sequence-independent molecular-replacement pipeline.
Simpkin AJ, Simkovic F, Thomas JMH, Savko M, Lebedev A, Uski V, Ballard C, Wojdyr M, Wu R, Sanishvili R, Xu Y, Lisa MN, Buschiazzo A, Shepard W, Rigden DJ, Keegan RM. Simpkin AJ, et al. Among authors: wojdyr m. Acta Crystallogr D Struct Biol. 2018 Jul 1;74(Pt 7):595-605. doi: 10.1107/S2059798318005752. Epub 2018 Jun 8. Acta Crystallogr D Struct Biol. 2018. PMID: 29968670 Free PMC article.
Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB).
Adams PD, Afonine PV, Baskaran K, Berman HM, Berrisford J, Bricogne G, Brown DG, Burley SK, Chen M, Feng Z, Flensburg C, Gutmanas A, Hoch JC, Ikegawa Y, Kengaku Y, Krissinel E, Kurisu G, Liang Y, Liebschner D, Mak L, Markley JL, Moriarty NW, Murshudov GN, Noble M, Peisach E, Persikova I, Poon BK, Sobolev OV, Ulrich EL, Velankar S, Vonrhein C, Westbrook J, Wojdyr M, Yokochi M, Young JY. Adams PD, et al. Among authors: wojdyr m. Acta Crystallogr D Struct Biol. 2019 Apr 1;75(Pt 4):451-454. doi: 10.1107/S2059798319004522. Epub 2019 Apr 8. Acta Crystallogr D Struct Biol. 2019. PMID: 30988261 Free PMC article.
Using Phaser and ensembles to improve the performance of SIMBAD.
Simpkin AJ, Simkovic F, Thomas JMH, Savko M, Lebedev A, Uski V, Ballard CC, Wojdyr M, Shepard W, Rigden DJ, Keegan RM. Simpkin AJ, et al. Among authors: wojdyr m. Acta Crystallogr D Struct Biol. 2020 Jan 1;76(Pt 1):1-8. doi: 10.1107/S2059798319015031. Epub 2020 Jan 1. Acta Crystallogr D Struct Biol. 2020. PMID: 31909738 Free PMC article.
Molecular Weight Determination by Counting Molecules.
Tian Y, Kuzimenkova MV, Halle J, Wojdyr M, Diaz de Zerio Mendaza A, Larsson PO, Müller C, Scheblykin IG. Tian Y, et al. Among authors: wojdyr m. J Phys Chem Lett. 2015 Mar 19;6(6):923-7. doi: 10.1021/acs.jpclett.5b00296. Epub 2015 Feb 27. J Phys Chem Lett. 2015. PMID: 26262846
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