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, Sandor Lovas.

Journal Name: Protein & Peptide Letters

Volume 14 , Issue 4 , 2007

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Abstract:

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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Article Details

VOLUME: 14
ISSUE: 4
Year: 2007
Page: [353 - 359]
Pages: 7
DOI: 10.2174/092986607780363907
Price: $58

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