Detalle de: New methods to elucidate molecular effects of mutations on protein structure and function

This research line is conducted in collaboration with Uppsala University, where I co-supervise a PhD student (who is visiting researcher at my lab at CINN), who is developing GNN models and other machine-learning techniques to screen the effects of point mutations on protein stability, thermal adaptation and other protein-function parameters. The GNN/ML models are properly combined with physics-based (FEP) models developed in our lab to offer a complete pipeline and perspective of the effects of point mutations as well as multiple mutations on protein function and structure.