| Comparison of receptor–ligand restraint schemes for alchemical absolute binding free energy calculations F Clark, G Robb, DJ Cole, J Michel Journal of Chemical Theory and Computation 19 (12), 3686-3704, 2023 | 12 | 2023 |
| A suite of tutorials for the BioSimSpace framework for interoperable biomolecular simulation [article v1. 0] S Bariami, M Burman, F Clark, A Hardie, D Lukauskis, A sjs Mey, J Michel, ... Living Journal of Computational Molecular Science 5 (1), 2023 | 3 | 2023 |
| Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs CJ Woods, LO Hedges, AJ Mulholland, M Malaisree, P Tosco, HH Loeffler, ... The Journal of Chemical Physics 160 (20), 2024 | 1 | 2024 |
| Investigation of a liquid-mediated defect-healing treatment in zeolite beta F Clark, R Garcia, A Turrina Microporous and Mesoporous Materials 376, 113177, 2024 | | 2024 |
| Automated Adaptive Absolute Binding Free Energy Calculations F Clark, G Robb, D Cole, J Michel | | 2024 |
