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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