Publications [#300113] of Volker Blum

Preprints

1. Baldauf, C; Ropo, M; Blum, V; Scheffler, M, How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides, Aip Conference Proceedings, vol. 1618 (October, 2014), pp. 119-120, AIP Publishing LLC, ISSN 0094-243X, ISBN 9780735412552 [doi]
   (last updated on 2023/06/01)

   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.