Research

Structural dynamics of G protein coupled receptors (GPCRs)
We work on the elucidation of the conformational space of GPCRs and its modulation by extracellular ligands and intracellular effector proteins by means\ of classical and umbrella sampling molecular dynamics simulations to address the issues of signaling specificity and biased signaling. For this reason we are computational modelling receptor G protein or arrestin interactions to elucidate the mechanism of signal transduction.