OptiMol: Optimization of Binding Affinities in Chemical Space for Drug Discovery J Boitreaud, V Mallet, C Oliver, J Waldispuhl Journal of Chemical Information and Modeling 60 (12), 5658-5666, 2020 | 59 | 2020 |
Augmented base pairing networks encode RNA-small molecule binding preferences C Oliver, V Mallet, RS Gendron, V Reinharz, WL Hamilton, N Moitessier, ... Nucleic Acids Research, 2020 | 38 | 2020 |
InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein–protein interactions V Mallet, L Checa Ruano, A Moine Franel, M Nilges, K Druart, G Bouvier, ... Bioinformatics 38 (5), 1261-1268, 2022 | 19 | 2022 |
Reverse-complement equivariant networks for DNA sequences V Mallet, JP Vert Advances in neural information processing systems 34, 13511-13523, 2021 | 16 | 2021 |
Vernal: a tool for mining fuzzy network motifs in RNA C Oliver, V Mallet, P Philippopoulos, WL Hamilton, J Waldispühl Bioinformatics 38 (4), 970-976, 2022 | 15 | 2022 |
quicksom: Self-Organizing Maps on GPUs for clustering of molecular dynamics trajectories V Mallet, M Nilges, G Bouvier Bioinformatics 37 (14), 2064-2065, 2021 | 15 | 2021 |
RNAglib: a python package for RNA 2.5 D graphs V Mallet, C Oliver, J Broadbent, WL Hamilton, J Waldispühl Bioinformatics 38 (5), 1458-1459, 2022 | 11 | 2022 |
Leveraging binding-site structure for drug discovery with point-cloud methods V Mallet McGill University (Canada), 2019 | 7 | 2019 |
Approximate network motif mining via graph learning C Oliver, D Chen, V Mallet, P Philippopoulos, K Borgwardt arXiv preprint arXiv:2206.01008, 2022 | 4 | 2022 |
3D-based RNA function prediction tools in rnaglib C Oliver, V Mallet, J Waldispühl arXiv preprint arXiv:2402.09330, 2024 | | 2024 |
AlignScape, displaying sequence similarity using self-organizing maps I Filella-Merce, V MALLET, E Durand, M Nilges, G Bouvier, R Pellarin Frontiers in Bioinformatics 4, 1321508, 2024 | | 2024 |
RNAmigos2: Fast and accurate structure-based RNA virtual screening with semi-supervised graph learning and large-scale docking data JG Carvajal-Patino, V Mallet, D Becerra, LF Niño Vasquez, C Oliver, ... bioRxiv, 2023.11. 23.568394, 2023 | | 2023 |
Finding Antibodies in Cryo-EM densities with CrAI V Mallet, C Rapisarda, H Minoux, M Ovsjanikov bioRxiv, 2023.09. 27.559736, 2023 | | 2023 |
AtomSurf: Surface Representation for Learning on Protein Structures V Mallet, S Attaiki, M Ovsjanikov arXiv preprint arXiv:2309.16519, 2023 | | 2023 |
Geometric deep learning for structural bioinformatics V Mallet Université Paris Cité, 2022 | | 2022 |
Edge-similarity-aware Graph Neural Networks V Mallet, CG Oliver, WL Hamilton arXiv preprint arXiv:2109.09432, 2021 | | 2021 |