Deutsch
 
Benutzerhandbuch Datenschutzhinweis Impressum Kontakt
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Konferenzbeitrag

How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides

MPG-Autoren
/persons/resource/persons21325

Baldauf,  Carsten
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22025

Ropo,  Matti
Theory, Fritz Haber Institute, Max Planck Society;
Department of Physics, Tampere University of Technology;
COMP, Department of Applied Physics, Aalto University;

/persons/resource/persons21379

Blum,  Volker
Theory, Fritz Haber Institute, Max Planck Society;
Duke University, MEMS Department, Durham, NC 27708, USA;

/persons/resource/persons22064

Scheffler,  Matthias
Theory, Fritz Haber Institute, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Baldauf, C., Ropo, M., Blum, V., & Scheffler, M. (2014). How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides. In T. E. Simos, Z. Kalogiratou, & T. Monovasilis (Eds.), Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014) (pp. 119-120). Melville, NY: AIP Publishing.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0024-97F4-8
Zusammenfassung
In this contribution we detail our efforts to investigate the structural effects of cations binding to peptides and amino acids. We perform first-principles studies employing long-range dispersion-corrected approximate density-functional theory and compare to gas-phase experiments.