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Protein & Peptide Letters


ISSN (Print): 0929-8665
ISSN (Online): 1875-5305

Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations

Author(s): Attila Borics, Richard F. Murphy and Sandor Lovas

Volume 14, Issue 4, 2007

Page: [353 - 359] Pages: 7

DOI: 10.2174/092986607780363907

Price: $65


Conformational properties of two potentially β-turn forming peptides were determined using a strategy which combines MD simulations, IR and VCD spectroscopy and quantum chemical calculations. This strategy could be a useful alternative for solution conformational analysis of short flexible peptides and could help to identify VCD features which are as yet unknown.

Keywords: Peptides, β-turn, conformational analysis, molecular dynamics, vibrational circular dichroism, density functional theory

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