Berlin 2015 – scientific programme
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BP: Fachverband Biologische Physik
BP 17: Posters: Protein structure and dynamics
BP 17.4: Poster
Monday, March 16, 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.