Berlin 2012 – scientific programme
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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.