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Millan, Claudia, Keegan, Ronan M, Pereira, Joana, Sammito, Massimo D, Simpkin, Adam J, McCoy, Airlie J, Lupas, Andrei N, Hartmann, Marcus D, Rigden, Daniel J ORCID: 0000-0002-7565-8937 and Read, Randy J
(2021)
Assessing the utility of CASP14 models for molecular replacement.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 89 (12).
pp. 1752-1769.
Rodriguez, Filomeno Sanchez, Mesdaghi, Shahram, Simpkin, Adam J, Burgos-Marmol, J Javier, Murphy, David L, Uski, Ville, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2021)
ConPlot: web-based application for the visualization of protein contact maps integrated with other data.
BIOINFORMATICS, 37 (17).
2763 - 2765.
Sánchez Rodríguez, Filomeno, Mesdaghi, Shahram, Simpkin, Adam J, Burgos-Mármol, J Javier, Murphy, David L, Uski, Ville, Keegan, Ronan M and Rigden, Daniel J
(2021)
ConPlot: web-based application for the visualization of protein contact maps integrated with other data.
Bioinformatics (Oxford, England), 37 (17).
2763 - 2765.
Zhang, Jin, Fan, Fei, Zhao, Yanhe, Sun, Lifang, Liu, Yadan, Keegan, Ronan M, Isupov, Michail N and Wu, Yunkun
(2017)
Crystal structure of the type IV secretion system component CagX from <i>Helicobacter pylori</i>.
ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, 73 (Pt 3).
pp. 167-173.
Rigden, Daniel J ORCID: 0000-0002-7565-8937, Thomas, Jens MH ORCID: 0000-0003-0277-8505, Simkovic, Felix ORCID: 0000-0003-3430-6828, Simpkin, Adam ORCID: 0000-0003-1883-9376, Winn, Martyn D, Mayans, Olga and Keegan, Ronan M
(2018)
Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in <i>AMPLE</i>.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 74 (Pt 3).
pp. 183-193.
Keegan, Ronan M, Bibby, Jaclyn, Thomas, Jens ORCID: 0000-0003-0277-8505, Xu, Dong, Zhang, Yang, Mayans, Olga, Winn, Martyn D and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2015)
Exploring the speed and performance of molecular replacement with <i>AMPLE</i> using <i>QUARK ab initio</i> protein models.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 71 (Pt 2).
pp. 338-343.
Thomas, Jens MH ORCID: 0000-0003-0277-8505, Keegan, Ronan M, Rigden, Daniel J ORCID: 0000-0002-7565-8937 and Davies, Owen R
(2020)
Extending the scope of coiled-coil crystal structure solution by <i>AMPLE</i> through improved <i>ab initio</i> modelling.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 76 (Pt 3).
pp. 272-284.
Sanchez Rodriguez, Filomeno, Simpkin, Adam J, Davies, Owen R, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2020)
Helical ensembles outperform ideal helices in molecular replacement.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 76 (Pt 10).
pp. 962-970.
Pereira, Joana, Simpkin, Adam J, Hartmann, Marcus D, Rigden, Daniel J ORCID: 0000-0002-7565-8937, Keegan, Ronan M and Lupas, Andrei N
(2021)
High-accuracy protein structure prediction in CASP14.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 89 (12).
pp. 1687-1699.
Hewetson, Aveline, Khan, Nazmul H, Dominguez, Matthew J, Do, Hoa Quynh, Kusko, RE, Borcik, Collin G, Rigden, Daniel J ORCID: 0000-0002-7565-8937, Keegan, Ronan M, Sutton, R Bryan, Latham, Michael P et al (show 2 more authors)
(2020)
Maturation of the functional mouse CRES amyloid from globular form.
Proceedings of the National Academy of Sciences of the United States of America, 117 (28).
pp. 16363-16372.
Simpkin, Adam J, Thomas, Jens MH ORCID: 0000-0003-0277-8505, Simkovic, Felix, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2019)
Molecular replacement using structure predictions from databases.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 75 (Pt 12).
pp. 1051-1062.
Simpkin, Adam J ORCID: 0000-0003-1883-9376, Caballero, Iracema, McNicholas, Stuart, Stevenson, Kyle, Jimenez, Elisabet, Rodriguez, Filomneno Sanchez, Fando, Maria, Uski, Ville, Ballard, Charles, Chojnowski, Grzegorz et al (show 5 more authors)
(2023)
Predicted models and <i>CCP</i>4.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 79 (Pt 9).
pp. 806-819.
Keegan, Ronan M, McNicholas, Stuart J, Thomas, Jens MH ORCID: 0000-0003-0277-8505, Simpkin, Adam J ORCID: 0000-0003-1883-9376, Simkovic, Felix ORCID: 0000-0003-3430-6828, Uski, Ville, Ballard, Charles C, Winn, Martyn D, Wilson, Keith S and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2018)
Recent developments in <i>MrBUMP</i>: better search-model preparation, graphical interaction with search models, and solution improvement and assessment.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 74 (Pt 3).
pp. 167-182.
Simpkin, Adam J, Winn, Martyn D, Rigden, Daniel J ORCID: 0000-0002-7565-8937 and Keegan, Ronan M
(2021)
Redeployment of automated MrBUMP searchmodel identification for map fitting in cryo-EM.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 77 (Pt 11).
pp. 1378-1385.
Thomas, Jens MH ORCID: 0000-0003-0277-8505, Keegan, Ronan M, Bibby, Jaclyn, Winn, Martyn D, Mayans, Olga and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2015)
Routine phasing of coiled-coil protein crystal structures with <i>AMPLE</i>.
IUCRJ, 2 (Pt 2).
pp. 198-206.
Simpkin, Adam J ORCID: 0000-0003-1883-9376, Mesdaghi, Shahram, Rodriguez, Filomeno Sanchez, Elliott, Luc, Murphy, David L, Kryshtafovych, Andriy, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2023)
Tertiary structure assessment at CASP15.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 91 (12).
pp. 1616-1635.
Rodriguez, Filomeno Sanchez, Chojnowski, Grzegorz, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2022)
Using deep-learning predictions of inter-residue distances for model validation.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 78 (Pt 12).
pp. 1412-1427.
Guo, Jingxu, Keegan, Ronan M, Rigden, Daniel J ORCID: 0000-0002-7565-8937, Erskine, Peter T, Wood, Steve P, Li, Sheng and Cooper, Jonathan B
(2021)
The X-ray structure of juvenile hormone diol kinase from the silkworm <i>Bombyx mori</i>.
ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, 77 (Pt 12).
pp. 465-472.
Chojnowski, Grzegorz, Simpkin, Adam J, Leonardo, Diego A, Seifert-Davila, Wolfram, Vivas-Ruiz, Dan E, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2022)
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM.
IUCrJ, 9 (1).
pp. 86-97.
Agirre, Jon, Atanasova, Mihaela, Bagdonas, Haroldas, Ballard, Charles B, Basle, Arnaud, Beilsten-Edmands, James, Borges, Rafael J, Brown, David G, Burgos-Marmol, J Javier ORCID: 0000-0003-1861-2657, Berrisford, John M et al (show 84 more authors)
(2023)
The <i>CCP4</i> suite: integrative software for macromolecular crystallography.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 79 (Pt 6).
pp. 449-461.
Krissinel, Eugene, Lebedev, Andrey A, Uski, Ville, Ballard, Charles B, Keegan, Ronan M, Kovalevskiy, Oleg, Nicholls, Robert A, Pannu, Navraj S, Skubak, Pavol, Berrisford, John et al (show 23 more authors)
(2022)
<i>CCP</i>4 Cloud for structure determination and project management in macromolecular crystallograpny.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 78 (Pt 9).
pp. 1079-1089.
Simpkin, Adam J ORCID: 0000-0003-1883-9376, Thomas, Jens MH ORCID: 0000-0003-0277-8505, Keegan, Ronan M and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2022)
<i>MrParse:</i> finding homologues in the PDB and the EBI AlphaFold database tor molecular replacement and more.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 78 (Pt 5).
pp. 553-559.