4 citations · 5 across the 6 of their papers we have counts for
3 papers · 1 filter
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…
Are Protein Language Models Compute Optimal?
Yaiza Serrano, Álvaro Ciudad, Alexis Molina
While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP sca…
GeoDirDock: Guiding Docking Along Geodesic Paths
Raúl Miñán, Javier Gallardo, Álvaro Ciudad +1
This work introduces GeoDirDock (GDD), a novel approach to molecular docking that enhances the accuracy and physical plausibility of ligand docking predictions. GDD guides the deno…