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

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

Volume: 14 Issue: 4

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

Affiliation:

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

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.

Cite this article as:

Borics Attila, Murphy F. Richard and Lovas Sandor, Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations, Protein & Peptide Letters 2007; 14 (4) . https://dx.doi.org/10.2174/092986607780363907