Research
Current
My research currently focuses on multi-scale modeling of biological systems, based on the synergistic use of ab initio methods, all-atom Force Field based simulations and on the development of Coarse Grained models for the molecular dynamics simulations on the large size - long time scales.
In detail:
Modeling the structure, dynamics and photophysics of the Green Fluorescent Proteins (GFP)
Study of the photoconversion mechanisms
Extension of these studies to the yellow and blue mutants and to red omologues (dsRed and asCP)
Study of the relationship between structure and vibrational/optical properties and of their variation across the whole Fluorescent Protein family
Development of Coarse Grained Models for proteins and macro-biomolecular aggregates
General aspects of the one-bead models Force Fields for proteins and nucleic acids
Applications to the study of:
The moleular mechanisms of the enzymes involved in the replication of HIV-1: large scale and long time dynamics of the of HIV-1 protease and integrase
Processes involved in DNA replication and translation: slow dynamics of Ribosomes, Nucleosomes and Plasmids
Development of CG models for the structural transitions in nucleic acids and in homo-polypeptides
Previous
Post-doc research project
Ab initio study of semiconductor III-V nanoclusters with fullerene topology
PhD research project
Vibrational properties of quantum solids near zero point melting: Wigner Crystal, 3He and 4He
Defects in quantum crystals
Vibrational properties of Alcali metals intercalates in graphite
Fast sound in water-ice near melting
Extensions of Density Functional Theory
Degree and post-graduate fellowship research project
Density Functional Theory
Applications to the study of vibrational and mechanical properties of Alcali Halides crystals near melting
Recent Selected publications (full list)
V Tozzini Acc Chem Res (2010)
Multi-Scale Modeling of Proteins
A Di Fenza, W Rocchia, V Tozzini Proteins (2009)
Complexes of HIV-1 integrase with HAT proteins: multi-scale models, dynamics and hypotheses on allosteric site of inhibition
F Trovato, V Tozzini J Phys Chem B (2008)
Supercoiling and Local Denaturation of Plasmids with a Minimalist DNA Model
R Nifosì, P Amat, V Tozzini J Comput Chem (2007)
Variation of spectral, structural and vibrational properties within the Intrinsically Fluorescent Proteins family: A Density Functional Study
V Tozzini, J Trylska, C-E Chang, JA McCammon J Struct Biol (2007)
Flap opening dynamics in HIV-1 protease explored with a coarse-grained model
V. Tozzini, Curr Opin Struct Biol (2005)
Coarse grained models for proteins
T. Laino, R. Nifosí, V. Tozzini Chem Phys (2004)
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