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


Conference Paper

© 2014 AIP Publishing LLC. 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.

Full Text

Duke Authors

Cited Authors

  • Baldauf, C; Ropo, M; Blum, V; Scheffler, M

Published Date

  • January 1, 2014

Published In

Volume / Issue

  • 1618 /

Start / End Page

  • 119 - 120

Electronic International Standard Serial Number (EISSN)

  • 1551-7616

International Standard Serial Number (ISSN)

  • 0094-243X

International Standard Book Number 13 (ISBN-13)

  • 9780735412552

Digital Object Identifier (DOI)

  • 10.1063/1.4897692

Citation Source

  • Scopus