Computational Biophysics - Associated partner: Computational Biochemistry Lab
 |
Dr. Adriana Pietropaolo
|
apietropaolo "at" unicz.it
+39 9613694356Education
| 1999 | Scientific Diploma |
| 2004 | MSc. in Chemistry, University of Catania, Italy |
| 2007 | Ph.D. in Chemistry, University of Bologna, Italy Thesis title: “Structure determination of proteins and peptides in solution: simulation chirality and NMR studies. ” Supervisor: Prof. Claudio Zannoni, University of Bologna |
Professional Career
| 01/2007 - 04/2007 | Fellowships for Early Stage Researchers mobility ``Marco Polo research program'' Chemistry Research Laboratory of Oxford |
| 03/2008 - 03/2010 | Postdoctoral researcher, ETH-Zürich |
| 04/2010 - | Assistant professor in General and Inorganic Chemistry University of Catanzaro. |
Teaching activity
Teaching duties of General and Inorganic Chemistry at the University of Catanzaro (2010, 2011).Current Research
Molecular dynamics simulations.Free energy estimation using metadynamics.
Coding in Fortran90 and C++ for research in chemistry.
Biomolecular chirality.
Bioinorganic chemistry.
Ab-initio and QM-MM approach for treating transition metals.
Publications
• A. Pietropaolo Exploring metal-driven stereoselectivity of glycopeptides by free energy calculations. Pure and Applied Chemistry. Accepted 2012.• A. Travaglia, A. Pietropaolo, D La Mendola, VG Nicoletti, E Rizzarelli The inorganic perspectives of neurotrophins and Alzheimer's disease J. Inorg. Biochem. in press 2012.
• V. Losasso, A. Pietropaolo, C. Zannoni, S. Gustincich, P. Carloni. Structural role of compensatory amino acid replacements in the α-synuclein protein. Biochemistry. 50, 6994-7001 2011.
• A. Pietropaolo, D. Branduardi, M. Bonomi and M. Parrinello A chirality-based metrics for free-energy calculations in biomolecular systems. J. Comput. Chem. 32, 2627-2637 2011.
• G. Grasso, G.Arena, F. Bellia, G. Maccarrone , M.Parrinello , A. Pietropaolo, G. Vecchio and E. Rizzarelli Intramolecular Weak Interactions in the Thermodynamic Stereoselectivity of Copper(II) Complexes with Carnosine-trehalose Conjugates. Chem. Eur. J. 17, 9448-9455 2011.
• A. Pietropaolo and M. Parrinello A quantitative measure of chirality inside nucleic acid databank. Chirality 23, 534-542 2011.
• G. Grasso, A. Pietropaolo, G. Spoto,G. Pappalardo, G. R. Tundo, C. Ciaccio, M. Coletta and E. Rizzarelli Copper(I) and copper(II) inhibit Aβ peptides proteolysis by insulin-degrading enzyme differently: implications for metallostasis alteration in Alzheimer’s disease. Chem. Eur. J. 17:2752-62 2011.
• A. Pietropaolo Chirality in Biochemistry: A Computational Approach for Investigating Biomolecule Conformations in Where Chemistry Meets Life Wiley-VCH ISBN: 978-3-527-32541-2. 2010.
• A. Pietropaolo, L. Muccioli, E. Rizzarelli, C. Zannoni Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals. ChemPhysChem, Special Issue : Biophysics. 10, 1500-1510 2009.
• D. La Mendola, R. P. Bonomo, S. Caminati, G. Di Natale, S. Emmi, Ö.Hansson, G. Maccarrone, G.Pappalardo, A. Pietropaolo, E. Rizzarelli Copper(II) complexes with an avian prion N-terminal region and their potential SOD-like activity. J Inorg. Biochem. 103, 195-204 2009.
• D. La Mendola, A. Pietropaolo, G. Pappalardo, C. Zannoni and E. Rizzarelli Prion proteins leading to neurodegeneration. Curr. Alzheimer Res., 5, 579-590 2008.
• A. Pietropaolo, L. Muccioli, C. Zannoni, D. La Mendola, G. Maccarone, G. Pappalardo, E. Rizzarelli, Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain. J. Phys. Chem. B. 112, 5182 -5188 2008.
• A. Pietropaolo, L. Muccioli, R. Berardi and C. Zannoni, A chirality index for investigating protein secondary structures and their time evolution. Proteins. 70, 667-677 2008.
• A. Pietropaolo, L. Raiola, L. Muccioli, G. Tiberio, C. Zannoni, R. Fattorusso, C. Isernia, D. La Mendola, G. Pappalardo, E. Rizzarelli, An NMR and Molecular Dynamics investigation of the avian prion hexarepeat conformational features in solution. Chem. Phys. Lett. 442, 110-118 2007.
• D. La Mendola, R. P. Bonomo, G. Impellizzeri, G. Maccarrone, G. Pappalardo, A. Pietropaolo, E. Rizzarelli, V. Zito, Copper (II) complexes with chicken prion repeats. Influence of proline and tyrosine residues on the coordination feautures. J. Biol. Inorg. Chem. 10, 463-475 2005.