Our research is focused on the study of biomolecular systems with the aim to establish the relation between structure, dynamics and function, understand the molecular determinants that guide the recognition between biomolecules, and apply this knowledge to the design of new bioactive compounds (drugs). To this end, we study from molecular interactions in small size systems to the dynamic analysis of macromolecular aggregates. Special interest is devoted to the development of bioactive molecules against neurodegeneration, and infectious diseases.