Modeling interactions between peptides and metal ions (Abstract/Poster in atti di convegno)

Type
Label
  • Modeling interactions between peptides and metal ions (Abstract/Poster in atti di convegno) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Alternative label
  • La Penna, Giovanni (2012)
    Modeling interactions between peptides and metal ions
    in Primo Congresso Nazionale della Divisione di Chimica Teorica e Computazionale della società Chimica Italiana, CNR, Area della ricerca di Pisa, 22-23/02/2012
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • La Penna, Giovanni (literal)
Pagina inizio
  • 29 (literal)
Pagina fine
  • 29 (literal)
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  • http://www.pi.iccom.cnr.it/dctc12/sites/default/files/Book_of_Abstracts_DCTC2012.pdf (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#titoloVolume
  • Primo Congresso Nazionale della Divisione di Chimica Teorica e Computazionale della società Chimica Italiana, Atti del Congresso (literal)
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  • 1 (literal)
Note
  • Abstract (literal)
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  • National research council of Italy, Institute for chemistry of organometallic compounds, via Madonna del Piano 10, 50019 Sesto Fiorentino (Firenze), Italy (literal)
Titolo
  • Modeling interactions between peptides and metal ions (literal)
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  • Santoro, Fabrizio; Stener, Mauro; Avila, Francisco; Coduti, Alberto (literal)
Abstract
  • The role of cofactors, like transition metal ions, in folding, misfolding and aggregating proteins and peptides within cells and tissues is now well recognized [1]. Due to the low degree of structure in protein regions involved in such important interactions, experimental methods need complementary information provided by models, these latter ranging from coarse-grained electrostatics to accurate quantum-mechanical descriptions of forces, passing through empirical force-fields used in atomistic simulations. In this contribution, the role of different types of modeling techniques and of high-performance computing infrastructures will be described, with particular emphasis on the contributions provided to the understanding of the interactions between Zn/Cu and peptides involved in neurodegenerative disorders like Creutzfeldt-Jacob (prion protein) [2,3] and Alzheimer's diseases (amyloid-beta peptides) [4,5,6]. (literal)
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