Issue 10, 2004

Vibrational analysis of capped [Leu]enkephalin

Abstract

The enkephalins are peptides with important biological activity. They are much more conformationally flexible than morphine, yet they bind to similar receptors with greater binding affinity. Their structures are therefore of particular interest. In this work we study the gas-phase low energy conformers of capped [Leu]enkephalin using the EDF1 density functional with the 6-31+G* basis set. The lowest energy structure found is a single β-bend structure. Calculated vibrational spectra indicate considerable scope for determination of low energy conformers from experiment.

Article information

Article type
Paper
Submitted
01 Dec 2003
Accepted
23 Jan 2004
First published
23 Feb 2004

Phys. Chem. Chem. Phys., 2004,6, 2580-2587

Vibrational analysis of capped [Leu]enkephalin

T. M. Watson and J. D. Hirst, Phys. Chem. Chem. Phys., 2004, 6, 2580 DOI: 10.1039/B315501C

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