Research interests
I received the Master in Physics from the University of Bari (Italy) in December 2015. My thesis work was carried out under the supervision of Prof. Gianluca Lattanzi (University of Trento, Italy) and Dr. Giuseppe Felice Mangiatordi (Department of Pharmacy, Bari), and focussed on the computational investigation of the conformational properties of the N-terminal segment of the human aquaporin-4 (hAQP4). This work was based on Molecular Dynamics (MD) simulations. In particular, my original contribution consists in the implementation of an algorithm allowing the exploration of the conformational space of the protein segment by means of a variant of the Replica Exchange technique named REST2. The latter was characterized by an exchange of Hamiltonian (and not temperature) only for the solute. I implemented this technique in GROMACS. Since joining the Polymer Theory group of Prof. K. Kremer as a PhD student in May, 2016, my research activity has focused on adaptive resolution simulations of biomolecular systems and, more broadly, the study of Coarse Graining techniques.
Curriculum Vitae
Publications
- Raffaele Fiorentini, Kurt Kremer, Raffaello Potestio, and Aoife C. Fogarty, Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues, J. Chem. Phys. 146, 244113 (2017)