Bioquímica Farmacológica — Computational Lab
Molecular docking practical: GNINA workshop and docking simulation notebooks.
Code & Tools
Biología Molecular de Sistemas — Class Material
Course material for a Systems Biology module.
Graph Neural Networks: Understanding Network Data with Deep Learning
Interactive teaching module on GNNs for systems biology, with notebook, article and audio overview.
Mapa de Profesiones
Career-orientation guide for pre-university students: from bachillerato to profession.
Directional allosteric communication in protein language model attention
Analysis code for the ESM-2 attention-asymmetry study of the adenosine A2A receptor (bioRxiv 2026).
ESM Allostery Analysis
Identifying which ESM-2 attention heads are most sensitive to known allosteric sites.
PLMs Dynamic Allostery
Extracting allostery-sensitive attention heads from ESM-2 and computing per-residue allostery scores.
Protein Structure Network
Centrality of amino acids in a protein structure network derived from normal mode analysis.