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BP: Fachverband Biologische Physik

BP 7: Posters: Proteins

BP 7.4: Poster

Monday, March 26, 2012, 17:30–19:30, Poster A

Macromolecular unfolding properties in presence of compatible solutes — •Jens Smiatek¹, Hans-Joachim Galla², and Andreas Heuer¹ — ¹Institut für Physikalische Chemie, WWU Münster, D-48149 Münster, Germany — ²Institut für Biochemie, WWU Münster, D-48149 Münster, Germany

We present Molecular Dynamics simulations of Chymotrypsin inhibitor II and PEO in presence of compatible solutes. Our results indicate that the native compact state of the studied macromolecules is stabilized in presence of hydroxyectoine. We are able to explain the corresponding mechanism by a variation of the solvent properties for higher hydroxyectoine concentrations. Our results are validated by detailed free energy calculations.