Computational Structural Biology of Signaling Proteins

We aim to understand how proteins translate recognition of endogenous biomolecules (or pharmaceutical drugs) into tightly regulated patterns of cellular signaling. We use techniques such as atomistic structural modeling and simulations and data-mining of protein structure and sequence databases to interpret biophysical and biochemical experimental data and develop theoretical models of protein function. Our research is mostly focused on G protein-coupled receptors (GPCRs) –a large family of membrane proteins essential in cell physiology and the target of around 30% of currently marketed drugs– and their primary signaling partners, G proteins.