The overall goal of our research is to develop and apply innovative computational methodologies for drug design and discovery to address problems at the interface between chemistry, biology and medicine. Research activities focus on modelling protein-ligand interactions, structure-based drug design, molecular dynamics, homology modelling and QSAR. In this respect, we are applying structure-based strategies to design several classes of bioactive compounds targeted to specific diseases, with particular reference to cancer. We are also developing a new procedure for virtual screening based on the integration of docking, molecular dynamics, and free energy-based scoring functions. We are also interested in the discovery of candidate drugs using multitarget drug design strategies.
Our laboratory is located at the Department of Life Sciences
of the University of Modena and Reggio Emilia.