| EP/P022138/1 | EPSRC Flagship Software - BioSimSpace: A shared space for the community development of biomolecular simulation workflows | (C) |
| EP/N024117/1 | Nicotinic Ligand Development to Target Smoking Cessation and Gain a Molecular Level Understanding of Partial Agonism | (C) |
| EP/M027546/1 | BristolBridge: Bridging the Gaps between the Engineering and Physical Sciences and Antimicrobial Resistance | (P) |
| EP/M022609/1 | CCP-BioSim: Biomolecular Simulation at the Life Sciences Interface | (P) |
| EP/M015378/1 | Predicting drug-target binding kinetics through multiscale simulations | (P) |
| EP/M013219/1 | Biocatalysis & Biotransformation: A 5th Theme for the National Catalysis Hub | (C) |
| EP/L000253/1 | The UK High-End Computing Consortium for Biomolecular Simulation | (P) |
| EP/J010588/1 | CCP-BioSim: Biomolecular simulation at the life sciences interface | (P) |
| EP/I030395/1 | Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics | (P) |
| EP/G002843/1 | Combined experimental and computational investigations of a nucleophilic displacement reaction with a hydride leaving group | (P) |
| EP/G042853/1 | Multiscale Ensemble Computing for Modelling Biological Catalysts | (P) |
| EP/G007705/1 | Computational biochemistry: predictive modelling for biology and medicine | (P) |
| EP/F010516/1 | Accelerating rational drug design with multi-threaded array processors | (C) |
| EP/E022197/1 | Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study | (P) |
| EP/C532910/1 | Accurate QM/MM methods for modelling enzyme catalysis | (C) |
| EP/D000173/1 | Towards the Dynome: Adding a 4th Dimension to the Protein Database by Terascale Simulation | (C) |
| GR/R86102/01 | Insights into enzyme catalysed hydrogen tunneling at the atomic level using computational chemistry. | (C) |
| GR/R86119/01 | Insights into enzyme catalysed hydrogen tunnelling at the atomic level using computational chemistry | (P) |
| GR/N08865/01 | COMBINING THEORY AND EXPERIMENT TO EXAMINE THE MECHANISM OF CATALYSIS BY ASADH | (C) |
| GR/A00522/01 | AF: BIOCHEMICAL CATALYSIS IN NORMAL & EXTREME CONDITIO NS: SIMULATION OF ENZYME MECHANISMS & DYNAMICS | (P) |
| GR/M34799/01 | JREI: COMPUTATIONAL CHEMISTRY OF MOLECULES, MATERIALS AND ENZYMES | (C) |