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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.
Simpkin, Adam J, Sanchez Rodriguez, Filomeno, Mesdaghi, Shahram, Kryshtafovych, Andriy and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2021)
Evaluation of model refinement in CASP14.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 89 (12).
pp. 1852-1869.
Simpkin, Adam J ORCID: 0000-0003-1883-9376 and Rigden, Daniel J ORCID: 0000-0002-7565-8937
(2016)
GP0.4 from bacteriophage T7: in silico characterisation of its structure and interaction with E. coli FtsZ.
BMC research notes, 9 (1).
343-.
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.
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.
Bengtsson, Rebecca J, Simpkin, Adam J, Pulford, Caisey V, Low, Ross, Rasko, David A, Rigden, Daniel J ORCID: 0000-0002-7565-8937, Hall, Neil, Barry, Eileen M, Tennant, Sharon M and Baker, Kate S ORCID: 0000-0001-5850-1949
(2022)
Pathogenomic analyses of Shigella isolates inform factors limiting shigellosis prevention and control across LMICs.
NATURE MICROBIOLOGY, 7 (2).
251-+.
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.
Mesdaghi, Shahram, Murphy, David L, Simpkin, Adam J and Rigden, Daniel John ORCID: 0000-0002-7565-8937
(2023)
Structural Insights into Pink-eyed Dilution Protein (Oca2).
Bioscience reports, 43 (7).
BSR20230060-BSR20230060.
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.
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.