Benedetta Maria Sala

The paper decodes correlated dynamics at the pMHC interface to understand TCR recognition and immunogenicity using computational methods.

The paper combines AlphaFold, MD simulations, and NMR relaxation data to identify biologically relevant protein conformational ensembles for a specific bacterial protein.

The paper determines the crystal structure of PsrSp and uses NMR to analyze its dynamics, showing that four long loops contribute to ligand specificity through their mobility.