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

Conference Paper

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

  • October 6, 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