Journal article
Network of hydrogen bonds in Pro-Ala-Pro and Pro-Phe-Pro diamides: A first principles study of Ala→Phe point mutation in proline environment
Abstract
Intramolecular hydrogen bonding in the Pro-Ala-Pro and Pro-Phe-Pro tripeptides has been characterized using Bader's atoms in molecule (AIM) analyses of relevant electron density topologies. The properties of hydrogen bonds with corresponding ring strains were investigated. Good correlations along the decrease in electron densities at ring critical points were examined from five- to ten-membered hydrogen-bound ring sizes; seven-membered rings …
Authors
Wang H; Csizmadia IG; Marsi I; Chasse GA; Fang D; Viskolcz B
Journal
The Journal of Chemical Physics, Vol. 131, No. 3,
Publisher
AIP Publishing
Publication Date
July 21, 2009
DOI
10.1063/1.3173810
ISSN
0021-9606