The research activity of Davide Pirolli, carried on at the Catholic University of Rome, is focused on the theoretical structural and dynamical studies of the proteins and protein complexes. In particular, his research experience and activity regards the studies of the effects of mutations and ligand binding on the protein structure, folding and dynamics through molecular dynamics simulations and molecular modelling techniques. By the use of different molecular docking approaches, he works on the structural prediction of the protein/protein and protein/ligand interactions. He is mainly involved in drug discovery projects where he works as an in silico designer of new biologically active small molecules by developing custom pharmacophore- and docking-based virtual screening strategies.
PROJECTS
PRIN2017, TargHed, Prof. Giancarlo Fabrizi, responsabile UR, 2019-2022
RESEARCH INTERESTS
In silico design of bioactive molecules, protein odelling, molecular dynamics simulations
SCIENTIFIC SKILLS
Virtual Screening, Molecular modelling, molecular docking, molecular dynamics, QSAR, machine learning.