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Issue 10, 2004
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Vibrational analysis of capped [Leu]enkephalin

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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.

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The article was received on 01 Dec 2003, accepted on 23 Jan 2004 and first published on 23 Feb 2004

Article type: Paper
DOI: 10.1039/B315501C
Citation: Phys. Chem. Chem. Phys., 2004,6, 2580-2587
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    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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