Macromolecular unfolding properties in presence of compatible solutes

Details Macromolecular unfolding properties in presence of compatible solutes Macromolecular unfolding properties in presence of compatible solutes

2011-10-13

arxiv.org/abs/1110.2958v1

Physics

Biological Physics

8 pages, 9 figures

Scientific paper

We present Molecular Dynamics simulations of Chymotrypsin inhibitor II and PEO in presence of compatible solutes. Our results indicate that the 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.

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