The latter area of investigation focuses on the discovery and design of enzyme inhibitors as new candidate drugs, the study of the mechanisms of action of enzymes and the binding process between peptides or viruses and cell receptors. For this, we mainly use docking and advanced molecular dynamics tools that allow us to examine the kinetics and thermodynamics of these biochemical systems and explore their evolution over time. In this case, we move on the borders between chemistry, biology and pharmacology.      

In general, we are convinced that the integration between computational and experimental approaches is essential in modern chemical research, as well as the predisposition to cross frontiers among disciplines and carry out authentic multidisciplinary investigations.