Physical Chemistry

Petr Bouř

Protein hydration, and in general interactions with the environment, are important for the folding, and hence biological role of enzymes and other compounds. Fine conformational changes can be conveniently studied, for example, by Raman spectroscopy. On smaller peptide models we will investigate the role of hydration, pH, and other factors by the Raman optical activity spectroscopy, which will be supported by molecular dynamics simulations and quantum mechanical computations of the spectra.