- Conference date: 24–28 February 2008
- Location: Thiruvananthapuram, Kerala (India)
This contribution aims at the dynamic aspects of peptide conformation in aqueous solution where peptide structural properties are most relevant to their biological role. In order to obtain solid physical knowledge about peptide structure and dynamics, we proceeded from simple amino acids and model dipeptides to more complex systems. Experimentally the project is based mainly on Raman Optical Activity (ROA) and Raman scattering that can sense equilibrium distributions of rapidly fluctuating structures. Interpretation of Raman and ROA spectra is based on advanced spectral simulations taking into account conformational flexibility of the studied systems as well as solvent effects. Force fields and polarizability tensors of longer peptides are constructed from short fragments by means of atomic tensor transfer. The ultimate goal is to fill the gap between the knowledge of simple dipeptides and proteins and bring detailed interpretation of the peptide spectra.
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