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.
Davide Pirolli has achieved his master degree in Pharmaceutical Chemistry and Technologies in 2007. In 2011, received the PhD degree in Proteomics (title “Recognition of the Collagen/HLA complex by the TCR in Rheumatoid Arthritis: from protein modelling to drug design”). From 2013 works as an adjunct professor of Medicinal Chemistry and Molecular Modelling, and as assistant for the practical training in the course of Chemistry at the degree courses of Cosmetic Sciences and Technologies and of Healthcare Biotechnology at the Catholic University. From 2017 is researcher at ICRM-CNR (now SCITEC).
In silico design of bioactive molecules, protein odelling, molecular dynamics simulations
Virtual Screening, Molecular modelling, molecular docking, molecular dynamics, QSAR, machine learning.