Talk given by

Prof. Paolo Carloni

Computational Biomedicine

Forschungszentrum Jülich

Jülich, Germany

Abstract: G-protein coupled receptors (GPCRs) constitute the largest receptor superfamily in humans.  They are the targets  for a significant fraction of drugs used in the clinics.

Here we will will review multiscale molecular simulations studies (from quantum  to coarse grain) from our lab, focusing on GPCRs of neuropharmaceutical relevance. It will seen that, by using different levels of descriptions, one can obtain  interesting  insights in agonist binding, receptor activation and downstream  signaling  events for this important and fascinating receptor class.