Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations (Articolo in rivista) (literal)

Anno

• 2010-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1021/la904765u (literal)

Alternative label

• Hoefling M., F. Iori, S. Corni, and K. E. Gottschalk (2010)
  Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations
  in Langmuir
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Hoefling M., F. Iori, S. Corni, and K. E. Gottschalk (literal)

Pagina inizio

• 2010 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 26 (literal)

Rivista

• Langmuir (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1. Univ Modena & Reggio Emilia, Ctr S3, CNR, Inst Nanosci, I-41125 Modena, Italy (F. Iori, S. Corni) 2. Univ Modena & Reggio Emilia, Dept Phys, I-41125 Modena, Italy 3. Univ Munich, Chair Appl Phys Biophys & Mol Mat, D-80799 Munich, Germany (literal)

Titolo

• Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations (literal)

Abstract

• Interactions of proteins with inorganic surfaces are of high importance in biological events and in modern biotechnological applications. Therefore, peptides have been engineered to recognize inorganic surfaces with high specificity. However, the underlying interactions are still not well understood. Here, we investigated the adsorption of amino acids as protein building blocks onto a Au(111) surface. In particular, using molecular dynamics simulations, we calculated the potential of mean force between all the 20 amino acids and the gold surface. We found a strong dependence of the binding affinities on the chemical character of the amino acids. Additionally, the interaction free energy is correlated with the propensity of amino acids to form ?-sheets, hinting at design principles for gold binding peptides and induction of ?-sheet formation near surfaces (literal)

Prodotto di

• Nanobiosistemi (MD.P06.010.002) (Modulo)

Autore CNR

• STEFANO CORNI (Persona)

Incoming links:

Autore CNR di

• STEFANO CORNI (Persona)

Prodotto

• Nanobiosistemi (MD.P06.010.002) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Langmuir (Rivista)