title: Computational molecular biology approaches to ligand-target interactions.
abstract: Binding of small molecules to their targets triggers complex pathways. Computational approaches are keys for predictions of the molecular events involved in such cascades. Here we review current efforts at characterizing the molecular determinants in the largest membrane-bound receptor family, the G-protein-coupled receptors (GPCRs). We focus on odorant receptors, which constitute more than half GPCRs. The work presented in this review uncovers structural and energetic aspects of components of the cellular cascade. Finally, a computational approach in the context of radioactive boron-based antitumoral therapies is briefly described.
authors.forename: Paola
authors.initials: P
authors.lastname: Lupieri
authors.forename: Chuong Ha Hung
authors.initials: CH
authors.lastname: Nguyen
authors.forename: Zhaleh Ghaemi
authors.initials: ZG
authors.lastname: Bafghi
authors.forename: Alejandro
authors.initials: A
authors.lastname: Giorgetti
authors.forename: Paolo
authors.initials: P
authors.lastname: Carloni