title: Computational approaches to shed light on molecular mechanisms in biological processes.
abstract: Computational approaches based on Molecular Dynamics simulations, Quantum Mechanical methods and 3D Quantitative Structure-Activity Relationships were employed by computational chemistry groups at the University of Milano-Bicocca to study biological processes at the molecular level. The paper reports the methodologies adopted and the results obtained on Aryl hydrocarbon Receptor and homologous PAS proteins mechanisms, the properties of prion protein peptides, the reaction pathway of hydrogenase and peroxidase enzymes and the defibrillogenic activity of tetracyclines.
authors.affiliation: Dipartimento di Biotecnologie e Bioscienze, Università di Milano-Bicocca, Piazza della Scienza, Milano 20126, Italy.
authors.forename: Giorgio
authors.initials: G
authors.lastname: Moro
authors.forename: Laura
authors.initials: L
authors.lastname: Bonati
authors.forename: Maurizio
authors.initials: M
authors.lastname: Bruschi
authors.forename: Ugo
authors.initials: U
authors.lastname: Cosentino
authors.forename: Luca
authors.initials: L
authors.lastname: De Gioia
authors.forename: Pier Carlo
authors.initials: PC
authors.lastname: Fantucci
authors.forename: Alessandro
authors.initials: A
authors.lastname: Pandini
authors.forename: Elena
authors.initials: E
authors.lastname: Papaleo
authors.forename: Demetrio
authors.initials: D
authors.lastname: Pitea
authors.forename: Gloria A A
authors.initials: GA
authors.lastname: Saracino
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Zampella