| Survey of multiscale and multiphysics applications and communities D Groen, SJ Zasada, PV Coveney Computing in Science & Engineering 16 (2), 34-43, 2013 | 101 | 2013 |
| Rapid, accurate, precise and reproducible ligand–protein binding free energy prediction S Wan, AP Bhati, SJ Zasada, PV Coveney Interface Focus 10 (6), 20200007, 2020 | 91 | 2020 |
| Rapid and reliable binding affinity prediction of bromodomain inhibitors: a computational study S Wan, AP Bhati, SJ Zasada, I Wall, D Green, P Bamborough, ... Journal of chemical theory and computation 13 (2), 784-795, 2017 | 84 | 2017 |
| Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases SK Sadiq, D Wright, SJ Watson, SJ Zasada, I Stoica, PV Coveney Journal of chemical information and modeling 48 (9), 1909-1919, 2008 | 83 | 2008 |
| The application hosting environment: Lightweight middleware for grid-based computational science PV Coveney, RS Saksena, SJ Zasada, M McKeown, S Pickles Computer Physics Communications 176 (6), 406-418, 2007 | 83 | 2007 |
| Virtualizing access to scientific applications with the application hosting environment SJ Zasada, PV Coveney Computer Physics Communications 180 (12), 2513-2525, 2009 | 61 | 2009 |
| Flexible composition and execution of high performance, high fidelity multiscale biomedical simulations D Groen, J Borgdorff, C Bona-Casas, J Hetherington, RW Nash, ... Interface Focus 3 (2), 20120087, 2013 | 50 | 2013 |
| Patient-specific simulation as a basis for clinical decision-making SK Sadiq, MD Mazzeo, SJ Zasada, S Manos, I Stoica, CV Gale, ... Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2008 | 50 | 2008 |
| FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures D Groen, AP Bhati, J Suter, J Hetherington, SJ Zasada, PV Coveney Computer Physics Communications 207, 375-385, 2016 | 46 | 2016 |
| Clinically driven design of multi-scale cancer models: the ContraCancrum project paradigm K Marias, D Dionysiou, V Sakkalis, N Graf, RM Bohle, PV Coveney, ... Interface Focus 1 (3), 450-461, 2011 | 36 | 2011 |
| Comparative review of analytical techniques for determination of carbapenems J Cielecka-Piontek, K Michalska, P Zalewski, S Zasada Current Analytical Chemistry 8 (1), 91-115, 2012 | 27 | 2012 |
| Life or death decision-making: the medical case for large-scale, on-demand grid computing S Manos, S Zasada, PV Coveney CTWatch Quarterly 4 (1), 2008 | 27 | 2008 |
| The Virtual Physiological Human ToolKit J Cooper, F Cervenansky, G De Fabritiis, J Fenner, D Friboulet, ... Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2010 | 26 | 2010 |
| IMENSE: An e-infrastructure environment for patient specific multiscale data integration, modelling and clinical treatment SJ Zasada, T Wang, A Haidar, E Liu, N Graf, G Clapworthy, S Manos, ... Journal of Computational Science 3 (5), 314-327, 2012 | 20 | 2012 |
| Large scale computational science on federated international grids: The role of switched optical networks PV Coveney, G Giupponi, S Jha, S Manos, J MacLaren, SM Pickles, ... Future Generation Computer Systems 26 (1), 99-110, 2010 | 17 | 2010 |
| High-throughput binding affinity calculations at extreme scales J Dakka, M Turilli, DW Wright, SJ Zasada, V Balasubramanian, S Wan, ... BMC bioinformatics 19, 33-45, 2018 | 16 | 2018 |
| p-medicine: A medical informatics platform for integrated large scale heterogeneous patient data J Marés, L Shamardin, G Weiler, A Anguita, S Sfakianakis, E Neri, ... AMIA Annual Symposium Proceedings 2014, 872, 2014 | 16 | 2014 |
| Flexible composition and execution of large scale applications on distributed e-infrastructures SJ Zasada, DCW Chang, AN Haidar, PV Coveney Journal of Computational Science 5 (1), 51-62, 2014 | 15 | 2014 |
| A data infrastructure reference model with applications: towards realization of a ScienceTube vision with a data replication service M Riedel, P Wittenburg, J Reetz, M van de Sanden, J Rybicki, ... Journal of internet services and applications 4, 1-17, 2013 | 15 | 2013 |
| From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine DW Wright, S Wan, N Shublaq, SJ Zasada, PV Coveney Wiley Interdisciplinary Reviews: Systems Biology and Medicine 4 (6), 585-598, 2012 | 14 | 2012 |
