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 | 383 | 2023 |
Titin kinase is an inactive pseudokinase scaffold that supports MuRF1 recruitment to the sarcomeric M-line J Bogomolovas, A Gasch, F Simkovic, DJ Rigden, S Labeit, O Mayans Open biology 4 (5), 140041, 2014 | 75 | 2014 |
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 | 48 | 2018 |
Applications of contact predictions to structural biology F Simkovic, S Ovchinnikov, D Baker, DJ Rigden IUCrJ 4 (3), 291-300, 2017 | 42 | 2017 |
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 | 33 | 2018 |
Production of monodisperse polyurea microcapsules using microfluidics MF Thorne, F Simkovic, AG Slater Scientific reports 9 (1), 17983, 2019 | 28 | 2019 |
Potential DNA binding and nuclease functions of ComEC domains characterized in silico JA Baker, F Simkovic, HMC Taylor, DJ Rigden Proteins: Structure, Function, and Bioinformatics 84 (10), 1431-1442, 2016 | 27 | 2016 |
Mechanistic and functional diversity in the mechanosensory kinases of the titin-like family O Mayans, GM Benian, F Simkovic, DJ Rigden Biochemical Society Transactions 41 (4), 1066-1071, 2013 | 25 | 2013 |
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 | 21 | 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, ... Biological Crystallography 74 (3), 183-193, 2018 | 20 | 2018 |
Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds F Simkovic, JMH Thomas, RM Keegan, MD Winn, O Mayans, DJ Rigden IUCrJ 3 (4), 259-270, 2016 | 17 | 2016 |
ConKit: a python interface to contact predictions F Simkovic, JMH Thomas, DJ Rigden Bioinformatics 33 (14), 2209-2211, 2017 | 14 | 2017 |
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 | 7 | 2020 |
Approaches to ab initio molecular replacement of α-helical transmembrane proteins JMH Thomas, F Simkovic, R Keegan, O Mayans, C Zhang, Y Zhang, ... Acta Crystallographica Section D: Structural Biology 73 (12), 985-996, 2017 | 6 | 2017 |
Identification of contaminants with SIMBAD: A Sequence-independent molecular replacement pipeline A Simpkin, F Simkovic, J Thomas, M Savko, C Ballard, M Wojdyr, ... Acta Crystallographica Section A: Foundations and Advances 74, e173-e173, 2018 | 2 | 2018 |
MS11-P03| SIMBAD: STRUCTURE BASED SEARCH MODEL IDENTIFICATION FOR MOLECULAR REPLACEMENT USING THE PDB DATABASE. A Simpkin, F Simkovic, J Thomas, V Uski, M Wojdyr, C Ballard, ... Acta Cryst 75, e177, 2019 | | 2019 |
Ensembling for molecular replacement: making the most of your distant homologues R Keegan, D Rigden, S McNicholas, E Krissinel, J Thomas, A Simpkin, ... Acta Crystallographica Section A: Foundations and Advances 74, e176-e176, 2018 | | 2018 |
Exploiting residue–residue contact information beyond structure predictions in molecular replacement F Simkovic, S de Oliveira, C Deane, DJ Rigden Acta Crystallographica Section A: Foundations and Advances 74, e46-e46, 2018 | | 2018 |
Covariation-derived Residue Contacts in Template-free Modelling and Molecular Replacement F Simkovic PQDT-Global, 2018 | | 2018 |
Unconventional molecular replacement for helical transmembrane proteins using AMPLE F Simkovic, J Thomas, O Mayans, D Rigden ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 73, C882-C882, 2017 | | 2017 |