| Spontaneous emission inside a hyperbolic metamaterial waveguide DJ Roth, AV Krasavin, A Wade, W Dickson, A Murphy, S Kéna-Cohen, ... ACS Photonics 4 (10), 2513-2521, 2017 | 52 | 2017 |
| Assimilating radial distribution functions to build water models with improved structural properties AD Wade, LP Wang, DJ Huggins Journal of chemical information and modeling 58 (9), 1766-1778, 2018 | 28 | 2018 |
| Computational fluorine scanning using free-energy perturbation AD Wade, A Rizzi, Y Wang, DJ Huggins Journal of Chemical Information and Modeling 59 (6), 2776-2784, 2019 | 17 | 2019 |
| Alchemical Free Energy Estimators and Molecular Dynamics Engines: Accuracy, Precision, and Reproducibility AD Wade, AP Bhati, S Wan, PV Coveney Journal of Chemical Theory and Computation 18 (6), 3972-3987, 2022 | 15 | 2022 |
| An open drug discovery competition: experimental validation of predictive models in a series of novel antimalarials EG Tse, L Aithani, M Anderson, J Cardoso-Silva, G Cincilla, GJ Conduit, ... Journal of Medicinal Chemistry 64 (22), 16450-16463, 2021 | 14 | 2021 |
| Optimization of protein–ligand electrostatic interactions using an alchemical free-energy method AD Wade, DJ Huggins Journal of Chemical Theory and Computation 15 (11), 6504-6512, 2019 | 14 | 2019 |
| Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease S Wan, AP Bhati, AD Wade, D Alfè, PV Coveney Molecular Systems Design & Engineering 7 (2), 123-131, 2022 | 10 | 2022 |
| The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase S Wan, AP Bhati, DW Wright, AD Wade, G Tresadern, H van Vlijmen, ... Scientific Reports 12 (1), 10433, 2022 | 3 | 2022 |
| Ensemble-Based Approaches Ensure Reliability and Reproducibility S Wan, AP Bhati, AD Wade, PV Coveney Journal of Chemical Information and Modeling 63 (22), 6959-6963, 2023 | 2 | 2023 |
| Which corners to cut? Guidelines on choosing optimal settings to maximise sampling with limited computational resources PV Coveney, S Wan, AP Bhati, AD Wade | 2 | 2022 |
| Identification of optimal ligand growth vectors using an alchemical free-energy method AD Wade, DJ Huggins Journal of Chemical Information and Modeling 60 (11), 5580-5594, 2020 | 2 | 2020 |
| TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal MK Bieniek, AD Wade, AP Bhati, S Wan, PV Coveney Journal of Chemical Information and Modeling 63 (3), 718-724, 2023 | | 2023 |
| Efficient Methods for Exploring Chemical Space in Computational Drug Discovery A Wade | | 2021 |
