13 citations · 32 across the 8 of their papers we have counts for
8 papers
Machine learning for RNA-targeting drug design
Wissam Karroucha, Carlos Oliver, Veronique Stoven +1
Targeting RNA with small molecules offers significant therapeutic potential. Machine learning could substantially accelerate preclinical drug discovery, from hit identification to…
A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
Luis Wyss, Vincent Mallet, Wissam Karroucha +2
The relationship between RNA structure and function has recently attracted interest within the deep learning community, a trend expected to intensify as nucleic acid structure mode…
3D-based RNA function prediction tools in rnaglib
Carlos Oliver, Vincent Mallet, Jérôme Waldispühl
Understanding the connection between complex structural features of RNA and biological function is a fundamental challenge in evolutionary studies and in RNA design. However, build…
Approximate Network Motif Mining Via Graph Learning
Carlos Oliver, Dexiong Chen, Vincent Mallet +2
Frequent and structurally related subgraphs, also known as network motifs, are valuable features of many graph datasets. However, the high computational complexity of identifying m…
Edge-similarity-aware Graph Neural Networks
Vincent Mallet, Carlos G. Oliver, William L. Hamilton
Graph are a ubiquitous data representation, as they represent a flexible and compact representation. For instance, the 3D structure of RNA can be efficiently represented as $\texti…
RNAglib: A Python Package for RNA 2.5D Graphs
Vincent Mallet, Carlos Oliver, Jonathan Broadbent +2
RNA 3D architectures are stabilized by sophisticated networks of (non-canonical) base pair interactions, which can be conveniently encoded as multi-relational graphs and efficientl…
VeRNAl: Mining RNA Structures for Fuzzy Base Pairing Network Motifs
Carlos Oliver, Vincent Mallet, Pericles Philippopoulos +2
RNA 3D motifs are recurrent substructures, modelled as networks of base pair interactions, which are crucial for understanding structure-function relationships. The task of automat…
Leveraging binding-site structure for drug discovery with point-cloud methods
Vincent Mallet, Carlos G. Oliver, Nicolas Moitessier +1
Computational drug discovery strategies can be broadly placed in two categories: ligand-based methods which identify novel molecules by similarity with known ligands, and structure…