Dresden 2009 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 17: Poster II

BP 17.16: Poster

Mittwoch, 25. März 2009, 17:15–19:45, P3

Water diffusion through OmpF channels using molecular dynamics simulations — •Mihai Tomozeiu, Soroosh Pezeshki, and Ulrich Kleinekathöfer — Jacobs University Bremen, Campus Ring 1, 28759 Bremen, Germany

Outer membrane protein F (OmpF) is one of the most prevalent porins of Escherichia coli. The protein is the main channel for the translocation for small molecules between the interior of the bacteria and its surroundings. One of its main functions is to control the osmotic pressure between the two media. The water diffusion through the channel is studied using molecular dynamics simulations in equilibrium conditions. Temperatures used for the simulations range from a few degrees above the melting point of water up to 363 K. As an additional control parameter, a strong electric field was applied along the channel axis to check if at this level, the electric field has any measurable influence on the water permeation. Due to the charge distribution of the protein the applied voltage drop over the channel was limited to one volt so that membrane and protein are not yet damaged in the simulations.