| High‐accuracy protein structure prediction in CASP14 J Pereira, AJ Simpkin, MD Hartmann, DJ Rigden, RM Keegan, AN Lupas Proteins: Structure, Function, and Bioinformatics 89 (12), 1687-1699, 2021 | 255 | 2021 |
| The CCP4 suite: integrative software for macromolecular crystallography J Agirre, M Atanasova, H Bagdonas, CB Ballard, A Baslé, ... Acta Crystallographica Section D: Structural Biology 79 (6), 449-461, 2023 | 130 | 2023 |
| Assessing the utility of CASP14 models for molecular replacement C Millán, RM Keegan, J Pereira, MD Sammito, AJ Simpkin, AJ McCoy, ... Proteins: Structure, Function, and Bioinformatics 89 (12), 1752-1769, 2021 | 43 | 2021 |
| Recent developments in MrBUMP: better search-model preparation, graphical interaction with search models, and solution improvement and assessment RM Keegan, SJ McNicholas, JMH Thomas, AJ Simpkin, F Simkovic, ... Acta Crystallographica Section D: Structural Biology 74 (3), 167-182, 2018 | 41 | 2018 |
| findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM G Chojnowski, AJ Simpkin, DA Leonardo, W Seifert-Davila, ... IUCrJ 9 (1), 86-97, 2022 | 34 | 2022 |
| SIMBAD: a sequence-independent molecular-replacement pipeline AJ Simpkin, F Simkovic, JMH Thomas, M Savko, A Lebedev, V Uski, ... Acta Crystallographica Section D: Structural Biology 74 (7), 595-605, 2018 | 32 | 2018 |
| Assessment of three‐dimensional RNA structure prediction in CASP15 R Das, RC Kretsch, AJ Simpkin, T Mulvaney, P Pham, R Rangan, F Bu, ... Proteins: Structure, Function, and Bioinformatics 91 (12), 1747-1770, 2023 | 31 | 2023 |
| Pathogenomic analyses of Shigella isolates inform factors limiting shigellosis prevention and control across LMICs RJ Bengtsson, AJ Simpkin, CV Pulford, R Low, DA Rasko, DJ Rigden, ... Nature microbiology 7 (2), 251-261, 2022 | 27 | 2022 |
| Evaluation of model refinement in CASP14 AJ Simpkin, F Sanchez Rodriguez, S Mesdaghi, A Kryshtafovych, ... Proteins: Structure, Function, and Bioinformatics 89 (12), 1852-1869, 2021 | 24 | 2021 |
| CCP4 Cloud for structure determination and project management in macromolecular crystallography E Krissinel, AA Lebedev, V Uski, CB Ballard, RM Keegan, O Kovalevskiy, ... Acta Crystallographica Section D: Structural Biology 78 (9), 1079-1089, 2022 | 20 | 2022 |
| Molecular replacement using structure predictions from databases AJ Simpkin, JMH Thomas, F Simkovic, RM Keegan, DJ Rigden Acta Crystallographica Section D: Structural Biology 75 (12), 1051-1062, 2019 | 18 | 2019 |
| Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in AMPLE DJ Rigden, JMH Thomas, F Simkovic, A Simpkin, MD Winn, O Mayans, ... Acta Crystallographica Section D: Structural Biology 74 (3), 183-193, 2018 | 17 | 2018 |
| Tertiary structure assessment at CASP15 AJ Simpkin, S Mesdaghi, F Sánchez Rodríguez, L Elliott, DL Murphy, ... Proteins: Structure, Function, and Bioinformatics 91 (12), 1616-1635, 2023 | 14 | 2023 |
| MrParse: finding homologues in the PDB and the EBI AlphaFold database for molecular replacement and more AJ Simpkin, JMH Thomas, RM Keegan, DJ Rigden Acta Crystallographica Section D: Structural Biology 78 (5), 553-559, 2022 | 14 | 2022 |
| ConPlot: web-based application for the visualization of protein contact maps integrated with other data F Sánchez Rodríguez, S Mesdaghi, AJ Simpkin, JJ Burgos-Mármol, ... Bioinformatics 37 (17), 2763-2765, 2021 | 7 | 2021 |
| Using Phaser and ensembles to improve the performance of SIMBAD AJ Simpkin, F Simkovic, JMH Thomas, M Savko, A Lebedev, V Uski, ... Acta Crystallographica Section D: Structural Biology 76 (1), 1-8, 2020 | 6 | 2020 |
| GP0.4 from bacteriophage T7: in silico characterisation of its structure and interaction with E. coli FtsZ AJ Simpkin, DJ Rigden BMC research notes 9, 1-9, 2016 | 5 | 2016 |
| Predicted models and CCP4 AJ Simpkin, I Caballero, S McNicholas, K Stevenson, E Jiménez, ... Acta Crystallographica Section D: Structural Biology 79 (9), 2023 | 3 | 2023 |
| Redeployment of automated MrBUMP search-model identification for map fitting in cryo-EM AJ Simpkin, MD Winn, DJ Rigden, RM Keegan Acta Crystallographica Section D: Structural Biology 77 (11), 1378-1385, 2021 | 2 | 2021 |
| Structural insights into pink-eyed dilution protein (Oca2) S Mesdaghi, DL Murphy, AJ Simpkin, DJ Rigden Bioscience reports 43 (7), BSR20230060, 2023 | 1 | 2023 |
