My research mainly focuses on the study of structure-function relationship in proteins using computational tools. Since my bachelor’s and master’s thesis, I have been using molecular dynamics simulations and related techniques to investigate important biological and problems, as for instance the study of the molecular determinants of cold adaptation. During my PhD at the Laboratory of Molecular Modelling at the University of Milano-Bicocca in Milan, I have used density functional theory to study how the reactivity of metalloenzymes is related to the shape of their active centers and of the surrounding protein structure. In the last years of my PhD, also in collaboration with the SBiNLab at the University of Copenhagen, I have developed a keen interest in the study through computational techniques of structural communication in proteins, and the transmission of information in the protein structure. This led to an ever-increasing interest in the development of new computational methods to detect pathways of structural communication such as xPyder and PyInteraph, as well as a package that is designed to easily measure ensemble similarity (ENCORE).
I’m currently working at the Fornili Lab as a postdoctoral research assistant, on a project closely related with my background experience. Namely, we’re developing a new methodology that aims at predicting and rationalizing the effect of compensatory mutations. More details about the project can be found in the projects page, or just drop us an e-mail.