Physical Chemistry of Macromolecules at Tor Vergata University

Research Interests:
The research activity is focussed on the study of the structural and functional properties of biopolymers and of biocompatible synthetic polymers in solution and in gel phase.
Molecular modeling methods are applied to elucidate structural and chemical behaviour aspects, such as the conformational preferences of the glycosidic linkages and the role of the molecular flexibility in conformational transitions.
Molecular dynamics is used to simulate the water and matrix dynamics in hydrogels and obtain a theoretical counterpart for the experimental quasi-elastic neutron scattering insights on the same systems.
CHARMM and GROMACS software tools are running on the local Compaq Alpha XP1000 workstation and the CINECA and CASPUR computing facilities.