Berlin 2008 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 7: Posters I

BP 7.33: Poster

Montag, 25. Februar 2008, 17:00–19:30, Poster A

Transport through OmpF channels simulated using molecular dynamics — •Soroosh Pezeshki, Catalin Chimerel, Mathias Winterhalter, and Ulrich Kleinekathöfer — Jacobs University Bremen, Campus Ring 1, 28759 Bremen, Germany

Ion transport through the outer membrane porin (OmpF) of E. Coli is simulated using all atom molecular dynamic simulations. The temperature dependence of the conductance is determined at different salt concentrations and the results are compared to experimental measurements. The agreement between experiment and simulations is very reasonable. Using the atomistic details obtained from the simulations, it is possible to analyze the behavior of the pore and ions during the simulations. Here special attention was put on ion pairing. Furthermore, constraining part of the pore in the simulations can change the conductivity drastically. This allows to draw conclusions about the influence of different parts of the pore (e.g. the beta barrels, the loops, etc.) on the current.