3 papers
q-bio.BM2025
Sesame: Opening the door to protein pockets
Raúl Miñán, Carles Perez-Lopez, Javier Iglesias +2
Molecular docking is a cornerstone of drug discovery, relying on high-resolution ligand-bound structures to achieve accurate predictions. However, obtaining these structures is oft…
cs.LG2025
sHGCN: Simplified hyperbolic graph convolutional neural networks
Pol Arévalo, Alexis Molina, Álvaro Ciudad
Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embedd…
q-bio.QM2024
Character-level Tokenizations as Powerful Inductive Biases for RNA Foundational Models
Adrián Morales-Pastor, Raquel Vázquez-Reza, Miłosz Wieczór +5
RNA is a vital biomolecule with numerous roles and functions within cells, and interest in targeting it for therapeutic purposes has grown significantly in recent years. However, f…