| Toward a standard protocol for micelle simulation MA Johnston, WC Swope, KE Jordan, PB Warren, MG Noro, DJ Bray, ... The Journal of Physical Chemistry B 120 (26), 6337-6351, 2016 | 68 | 2016 |
| Challenge to reconcile experimental micellar properties of the CnEm nonionic surfactant family WC Swope, MA Johnston, AI Duff, JL McDonagh, RL Anderson, G Alva, ... The Journal of Physical Chemistry B 123 (7), 1696-1707, 2019 | 30 | 2019 |
| Fluorescence studies on the interaction of pepsin with its substrates GP Sachdev, MA Johnston, JS Fruton Biochemistry 11 (6), 1080-1086, 1972 | 29 | 1972 |
| Framework‐based design of a new all‐purpose molecular simulation application: The Adun simulator MA Johnston, IF Galván, J Villà‐Freixa Journal of computational chemistry 26 (15), 1647-1659, 2005 | 27 | 2005 |
| Integrated prediction of the effect of mutations on multiple protein characteristics MA Johnston, CR Søndergaard, JE Nielsen Proteins: Structure, Function, and Bioinformatics 79 (1), 165-178, 2011 | 25 | 2011 |
| The role of residue stability in transient protein–protein interactions involved in enzymatic phosphate hydrolysis. A computational study J Bonet, G Caltabiano, AK Khan, MA Johnston, C Corbí, À Gómez, ... Proteins: Structure, Function, and Bioinformatics 63 (1), 65-77, 2006 | 20 | 2006 |
| Model for the Simulation of the CnEm Nonionic Surfactant Family Derived from Recent Experimental Results MA Johnston, AI Duff, RL Anderson, WC Swope The Journal of Physical Chemistry B 124 (43), 9701-9721, 2020 | 18 | 2020 |
| What can digitisation do for formulated product innovation and development? JL McDonagh, WC Swope, RL Anderson, MA Johnston, DJ Bray Polymer International 70 (3), 248-255, 2021 | 15 | 2021 |
| The Role of Chemical Heterogeneity in Surfactant Adsorption at Solid–Liquid Interfaces J Klebes, S Finnigan, DJ Bray, RL Anderson, WC Swope, MA Johnston, ... Journal of Chemical Theory and Computation 16 (11), 7135-7147, 2020 | 13 | 2020 |
| Efficient algorithm for the topological characterization of worm-like and branched micelle structures from simulations BO Conchuir, K Gardner, KE Jordan, DJ Bray, RL Anderson, MA Johnston, ... Journal of Chemical Theory and Computation 16 (7), 4588-4598, 2020 | 13 | 2020 |
| AllScale toolchain pilot applications: PDE based solvers using a parallel development environment F O’Donncha, R Iakymchuk, A Akhriev, P Gschwandtner, P Thoman, ... Computer Physics Communications 251, 107089, 2020 | 7 | 2020 |
| Toward Fast Determination of Protein Stability Maps: Experimental and Theoretical Analysis of Mutants of a Nocardiopsis prasina Serine Protease D Farrell, H Webb, MA Johnston, TA Poulsen, F O’Meara, ... Biochemistry 51 (26), 5339-5347, 2012 | 7 | 2012 |
| The QosCosGrid project: Quasi-opportunistic supercomputing for complex systems simulations. Description of a general framework from different types of applications M Charlot, G De Fabritis, ALG de Lomana, A Gomez-Garrido, D Groen, ... Ibergrid 2007 conference, Centro de Supercomputacion de Galicia (GESGA), 2007 | 7 | 2007 |
| Exploring HPC-based scientific software as a service using CometCloud M AbdelBaky, J Diaz-Montes, M Johnston, V Sachdeva, RL Anderson, ... 10th IEEE international conference on collaborative computing: networking …, 2014 | 6 | 2014 |
| Fast, transparent, and high-fidelity memoization cache-keys for computational workflows V Vassiliadis, MA Johnston, JL McDonagh 2022 IEEE International Conference on Services Computing (SCC), 174-184, 2022 | 5 | 2022 |
| Heterogeneous computing systems for complex scientific discovery workflows C Hagleitner, D Diamantopoulos, B Ringlein, C Evangelinos, C Johns, ... 2021 Design, Automation & Test in Europe Conference & Exhibition (DATE), 13-18, 2021 | 5 | 2021 |
| Capturing, sharing and analysing biophysical data from protein engineering and protein characterization studies D Farrell, F O’Meara, M Johnston, J Bradley, CR Søndergaard, N Georgi, ... Nucleic acids research 38 (20), e186-e186, 2010 | 5 | 2010 |
| Data decomposition for code parallelization in practice: what do the experts need? A Meade, DK Deeptimahanti, M Johnston, J Buckley, JJ Collins 2013 IEEE 10th International Conference on High Performance Computing and …, 2013 | 4 | 2013 |
| Constructing and evaluating predictive models for protein biophysical characteristics MA Johnston, JE Nielsen Annual Reports in Computational Chemistry 7, 101-124, 2011 | 4 | 2011 |
| Enabling data sharing and collaboration in complex systems applications MA Johnston, J Villà-Freixa International Workshop on Grid Computing in Computational Biology, 124-140, 2007 | 3 | 2007 |
