Molecular modeling of the inhibition of protein-protein interactions with small molecules: The IL2-IL2Rα case

► Protein-protein interactions are an emerging drug target. ► Computational alanine scanning is a tool for screening protein-protein interfaces. ► Few residues at the interface contribute to protein-protein binding. ► Finding drugs inhibiting protein-protein binding requires targeting those residues. ► The interactions critical for ligand binding are outlined in the case of IL2 protein.