PLMs Dynamic Allostery
Tools to extract allostery-sensitive attention heads from ESM-2 and compute per-residue allostery scores, part of an ongoing research programme connecting protein language models to allosteric mechanism.
Aurelio Moya García
My research asks whether protein language models implicitly encode the physics of allosteric communication, connecting structural bioinformatics, systems pharmacology and information theory. Former Marie Curie Fellow at University College London; I teach Biochemistry and Biophysics at Universidad de Málaga.