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Page 1
Predicted models and CCP4.
Simpkin AJ, Caballero I, McNicholas S, Stevenson K, Jiménez E, Sánchez Rodríguez F, Fando M, Uski V, Ballard C, Chojnowski G, Lebedev A, Krissinel E, Usón I, Rigden DJ, Keegan RM. Simpkin AJ, et al. Among authors: mcnicholas s. Acta Crystallogr D Struct Biol. 2023 Sep 1;79(Pt 9):806-819. doi: 10.1107/S2059798323006289. Epub 2023 Aug 17. Acta Crystallogr D Struct Biol. 2023. PMID: 37594303 Free PMC article.
Diagnostic and epidemiological landscape of anaerobic bacteria in Europe, 2020-2023 (ANAEuROBE).
Boattini M, Bianco G, Bastos P, Mavromanolaki VE, Maraki S, Spiliopoulou A, Kakouris V, Kalchev Y, Budimir A, Bedenić B, Rubic Z, Licker M, Musuroi C, Juhász E, Kristóf K, Pirs M, Velimirovic I, Berktold M, Liptáková A, Krajcikova A, Drevinek P, Gryndlerova A, Brzychczy-Wloch M, Olechowska-Jarząb A, Bielec F, Brauncajs M, Podsiadly E, Nurzyńska G, Zalas-Więcek P, Riesbeck K, Andersson HS, Tønjum T, Berild JC, Leegaard TM, Rasmussen AN, Schønning K, Glöckner S, Rödel J, Badr MT, Häcker GA, Stark D, Hamprecht A, Dudakova A, Jantsch J, Mancini S, Quiblier C, Jacot D, Greub G, Ferniani T, Ambretti S, Calvo M, Stefani S, Schade R, Yusuf E, Koeveringe SVK, Vandamme S, Verroken A, Rodriguez-Villalobos H, Duigou F, Corvec S, Floch P, Massip C, Chainier D, Barraud O, Louissaint MB, Mizrahi A, Ali S, Doyle M, Egan C, McNicholas S, Colomina-Rodriguez J, Torres I, Luengo RG, Escartín MNL, Perez MBV, Halperin AV, García SF, Cantón R, Seruca M, Mendes VS, Carvalho D, Cavallo R, Cristino JM, Costa C. Boattini M, et al. Among authors: mcnicholas s. Int J Antimicrob Agents. 2025 Feb 28:107478. doi: 10.1016/j.ijantimicag.2025.107478. Online ahead of print. Int J Antimicrob Agents. 2025. PMID: 40024606 Free article.
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: mcnicholas sj. 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.
Clinician perspectives on what constitutes good practice in community services for people with complex emotional needs: A qualitative thematic meta-synthesis.
Troup J, Lever Taylor B, Sheridan Rains L, Broeckelmann E, Russell J, Jeynes T, Cooper C, Steare T, Dedat Z, McNicholas S, Oram S, Dale O, Johnson S. Troup J, et al. Among authors: mcnicholas s. PLoS One. 2022 May 5;17(5):e0267787. doi: 10.1371/journal.pone.0267787. eCollection 2022. PLoS One. 2022. PMID: 35511900 Free PMC article. Review.
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: mcnicholas s. 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.
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.
Slice'N'Dice: maximizing the value of predicted models for structural biologists.
Simpkin AJ, Elliot LG, Joseph AP, Burnley T, Stevenson K, Sánchez Rodríguez F, Fando M, Krissinel E, McNicholas S, Rigden DJ, Keegan RM. Simpkin AJ, et al. Among authors: mcnicholas s. Acta Crystallogr D Struct Biol. 2025 Mar 1;81(Pt 3):105-121. doi: 10.1107/S2059798325001251. Epub 2025 Feb 20. Acta Crystallogr D Struct Biol. 2025. PMID: 39976565 Free PMC article.
Presenting your structures: the CCP4mg molecular-graphics software.
McNicholas S, Potterton E, Wilson KS, Noble ME. McNicholas S, et al. Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):386-94. doi: 10.1107/S0907444911007281. Epub 2011 Mar 18. Acta Crystallogr D Biol Crystallogr. 2011. PMID: 21460457 Free PMC article.
Online carbohydrate 3D structure validation with the Privateer web app.
Dialpuri JS, Bagdonas H, Schofield LC, Pham PT, Holland L, Bond PS, Sánchez Rodríguez F, McNicholas SJ, Agirre J. Dialpuri JS, et al. Among authors: mcnicholas sj. Acta Crystallogr F Struct Biol Commun. 2024 Feb 1;80(Pt 2):30-35. doi: 10.1107/S2053230X24000359. Epub 2024 Jan 24. Acta Crystallogr F Struct Biol Commun. 2024. PMID: 38265073 Free PMC article.
41 results