@inproceedings{a00a789f2e374f32b99a3b6c9911d5ad,
title = "How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides",
abstract = "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.",
keywords = "benchmarks, conformation database, density-functional theory, Peptide conformation, theoretical vibrational spectroscopy",
author = "Carsten Baldauf and Matti Ropo and Volker Blum and Matthias Scheffler",
year = "2014",
month = oct,
day = "6",
doi = "10.1063/1.4897692",
language = "English",
isbn = "9780735412552",
volume = "1618",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
pages = "119--120",
editor = "Simos, \{Theodore E.\} and Zacharoula Kalogiratou and Theodore Monovasilis",
booktitle = "International Conference of Computational Methods in Sciences and Engineering 2014 (ICCMSE 2014)",
note = "International Conference of Computational Methods in Sciences and Engineering, ICCMSE ; Conference date: 01-01-2003",
}