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BP: Fachverband Biologische Physik

BP 17: Posters: Protein structure and dynamics

BP 17.4: Poster

Montag, 16. März 2015, 17:30–19:30, Poster A

Solvation of 2GB1 in ionic liquid/water mixtures — •Volker Lesch¹, Vasileios A. Tatsis¹, Andreas Heuer¹, Christian Holm², and Jens Smiatek² — ¹Institut für physikalische Chemie, Westfälische Wilhelms-Universität Münster — ²Institut für Computerphysik, Universität Stuttgart

Ionic liquids are considered as environmentally friendly compared to organic compounds. Furthermore, they have an ionic character which leads to interesting solvation properties.

We present molecular dynamics simulations of the protein 2GB1 in explicit water and doped with the ionic liquid 1-ethyl-3-methylimidazolium acetate (4.55 mol/l). The solvation of the protein as well as the solvent’s structure induced from the protein were investigated on the atomistic scale. The protein is stabilized by the ionic liquid because of specific interactions.