Aurelio Moya García

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.

ESM Allostery Analysis

Tools for analyzing allosteric sensitivity in ESM-2 protein language model attention heads. Implements and extends the methodology from Dong et al. (2024) to identify which attention heads are most sensitive to known allosteric sites.

github.com/amoyag/allostery_heads