Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Competing adsorption between hydrated peptides and water onto metal surfaces: from electronic to conformational properties
Max-Planck-Institute for Polymer Research, Mainz, Germany.
Max-Planck-Institute for Polymer Research, Mainz, Germany.ORCID iD: 0000-0002-7498-7763
Max-Planck-Institute for Polymer Research, Mainz, Germany.
Max-Planck-Institute for Polymer Research, Mainz, Germany.
2008 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 130, no 40, 13460-13464 p.Article in journal (Refereed) Published
Abstract [en]

Inorganic-(bio)organic interfaces are of central importance in many fields of current research. Theoretical and computational tools face the difficult problem of the different time and length scales that are involved and linked in a nontrivial way. In this work, a recently proposed hierarchical quantum-classical scale-bridging approach is further developed to study large flexible molecules. The approach is then applied to study the adsorption of oligopeptides on a hydrophilic Pt(111) surface under complete wetting conditions. We examine histidine sequences, which are well known for their binding affinity to metal surfaces. Based on a comparison with phenylalanine, which binds as strong as histidine under high vacuum conditions but, as we show, has no surface affinity under wet conditions, we illustrate the mediating effects of near-surface water molecules. These contribute significantly to the mechanism and strength of peptide binding. In addition to providing physical-chemical insights in the mechanism of surface binding, our computational approach provides future opportunities for surface-specific sequence design.

Place, publisher, year, edition, pages
2008. Vol. 130, no 40, 13460-13464 p.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-82984DOI: 10.1021/ja804350vISI: 000259675500046PubMedID: 18788811OAI: oai:DiVA.org:kth-82984DiVA: diva2:498640
Note
QC 20120217Available from: 2012-02-12 Created: 2012-02-12 Last updated: 2017-12-07Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textPubMed

Authority records BETA

Hess, Berk

Search in DiVA

By author/editor
Hess, Berk
In the same journal
Journal of the American Chemical Society
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 25 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf