Computational Structural Biology IRB

The overall objective of our research is to understand the role that structure and dynamics play in the definition of the function of biomolecules. In order to perform their function, proteins and other biological molecules undergo a series of conformational changes that requires a precise balance between flexibility and stability. Changes in this equilibrium induced by genetic mutations are often at the origin of diseases. Our aim is to develop methods to incorporate data on structure an dynamics into computer simulations to study of complex processes such as molecular recognition, protein misfolding and aggregation at an atomistic level.