| On the frustration to predict binding affinities from protein–ligand structures with deep neural networks M Volkov, JA Turk, N Drizard, N Martin, B Hoffmann, Y Gaston-Mathé, ... Journal of medicinal chemistry 65 (11), 7946-7958, 2022 | 111 | 2022 |
| Molecular assays simulator to unravel predictors hacking in goal-directed molecular generations P Gendreau, JA Turk, N Drizard, VB Ribeiro da Silva, C Descamps, ... Journal of Chemical Information and Modeling 63 (13), 3983-3998, 2023 | 3 | 2023 |
