| The GAMESS-UK electronic structure package: algorithms, developments and applications MF Guest*, IJ Bush, HJJ Van Dam, P Sherwood, JMH Thomas, ... Molecular Physics 103 (6-8), 719-747, 2005 | 533 | 2005 |
| Crystal structure of the Nipah virus phosphoprotein tetramerization domain JF Bruhn, KC Barnett, J Bibby, JMH Thomas, RM Keegan, DJ Rigden, ... Journal of virology 88 (1), 758-762, 2014 | 84 | 2014 |
| Electron delocalization in the metallabenzenes: A computational analysis of ring currents G Periyasamy, NA Burton, IH Hillier, JMH Thomas The Journal of Physical Chemistry A 112 (26), 5960-5972, 2008 | 57 | 2008 |
| The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age S Adams, P de Castro, P Echenique, J Estrada, MD Hanwell, ... Journal of cheminformatics 3, 1-27, 2011 | 50 | 2011 |
| Amorphous PAF-1: Guiding the Rational Design of Ultraporous Materials JMH Thomas, A Trewin The Journal of Physical Chemistry C 118 (34), 19712-19722, 2014 | 39 | 2014 |
| The semantics of Chemical Markup Language (CML): dictionaries and conventions P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas Journal of cheminformatics 3, 1-12, 2011 | 35 | 2011 |
| 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 | 30 | 2018 |
| SIMBAD: a sequence‐independent molecular‐replacement pipeline AJ Simpkin, F Simkovic, JMH Thomas, M Savko, A Lebedev, V Uski, ... Acta Crystallographica Section D 74 (7), 595-605, 2018 | 28 | 2018 |
| Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models RM Keegan, J Bibby, J Thomas, D Xu, Y Zhang, O Mayans, MD Winn, ... Acta Crystallographica Section D: Biological Crystallography 71 (2), 338-343, 2015 | 25 | 2015 |
| Routine phasing of coiled-coil protein crystal structures with AMPLE JMH Thomas, RM Keegan, J Bibby, MD Winn, O Mayans, DJ Rigden IUCrJ 2 (2), 198-206, 2015 | 24 | 2015 |
| Large scale ab initio modelling of structurally uncharacterized antimicrobial peptides reveals known and novel folds M Kozic, SJ Fox, JM Thomas, CS Verma, DJ Rigden Proteins: Structure, Function, and Bioinformatics, 2018 | 14 | 2018 |
| 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 | 13 | 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 | 13 | 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 | 13 | 2016 |
| ConKit: a python interface to contact predictions F Simkovic, JMH Thomas, DJ Rigden Bioinformatics 33 (14), 2209-2211, 2017 | 10 | 2017 |
| Structure and Properties of a Nanoporous Supercapacitor P Fayon, JMH Thomas, A Trewin The Journal of Physical Chemistry C 120 (45), 25880-25891, 2016 | 9 | 2016 |
| Novel self-assembled 2D networks based on zinc metal ion co-ordination: synthesis and comparative study with 3D networks D Rajwar, X Liu, ZB Lim, SJ Cho, S Chen, JMH Thomas, A Trewin, ... RSC Advances 4 (34), 17680-17693, 2014 | 9 | 2014 |
| Large scale electronic structure calculations in the study of the condensed phase HJJ Van Dam, MF Guest, P Sherwood, JMH Thomas, JH van Lenthe, ... Journal of Molecular Structure: THEOCHEM 771 (1-3), 33-41, 2006 | 9 | 2006 |
| Artificial Synthesis of Conjugated Microporous Polymers via Sonogashira–Hagihara Coupling JMH Thomas, C Mollart, L Turner, P Heasman, P Fayon, A Trewin The Journal of Physical Chemistry B 124 (33), 7318-7326, 2020 | 8 | 2020 |
| Low-cost monitoring system for hydroponic urban vertical farms F Ruscio, P Paoletti, J Thomas, P Myers, S Fichera International Journal of Agricultural and Biosystems Engineering 13 (10 …, 2019 | 8 | 2019 |
