The Conformations of Amino Acids on a Gold(111) Surface (Articolo in rivista)

Type
Label
  • The Conformations of Amino Acids on a Gold(111) Surface (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Alternative label
  • Hoefling M., Iori F., Corni S. and Gottschalk K.E. (2010)
    The Conformations of Amino Acids on a Gold(111) Surface
    in ChemPhysChem (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Hoefling M., Iori F., Corni S. and Gottschalk K.E. (literal)
Pagina inizio
  • 1763 (literal)
Pagina fine
  • 1767 (literal)
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  • 11 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • Acknowledgement: This work was supported by the European Union under FP6, project Prosurf (FP6-NEST-028331), by the FCI (Fonds der chemischen Industrie) and by the BMBF (ZIK HIKE, FKZ 03Z2CK1) (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1. Univ Munich, Chair Appl Phys Biophys & Mol Mat, D-80799 Munich, Germany (Hoefling M., Gottschalk K.E.) 2. CNR Inst Nanosci, S3, I-41125 Modena, Italy (Iori F., Corni S.) 3. Univ Modena & Reggio Emilia, Dept Phys, I-41125 Modena, Italy (Iori F.) (literal)
Titolo
  • The Conformations of Amino Acids on a Gold(111) Surface (literal)
Abstract
  • The interactions of amino acids with inorganic surfaces are of interest for biologists and biotechnologists alike. However, the structural determinants of peptide-surface interactions have remained elusive, but are important for a structural understanding of the interactions of biomolecules with gold surfaces. Molecular dynamics simulations are a tool to analyze structures of amino acids on surfaces. However, such an approach is challenging due to lacking parameterization for many surfaces and the polarizability of metal surfaces. Herein, we report DFT calculations of amino acid fragments in vacuo and molecular dynamics simulations of the interaction of all amino acids with a gold(111) surface in explicit solvent, using the recently introduced polarizable gold force field GolP. We describe preferred orientations of the amino acids on the metal surface. We find that all amino acids preferably interact with the gold surface at least partially with their backbone, underlining an unfolding propensity of gold surfaces. (literal)
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