Regensburg 2010 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 36: Posters: Tissue Dynamics, Charge Effects, and Anomalous Transport

BP 36.7: Poster

Donnerstag, 25. März 2010, 17:15–20:00, Poster B2

Ion Transport through OmpF and OmpC Channels Simulated using Molecular Dynamics — Soroosh Pezeshki, Istvan Biro, Mathias Winterhalter, and •Ulrich Kleinekathöfer — Jacobs University Bremen, Campus Ring 1, 28759 Bremen, Germany

The outer membrane porins F and C (OmpF and OmpC) are major pores in the cell membrane of the Gram-negative bacterium Escherichia coli. They are considered the main pathways for ions and molecules through the membrane. Using the crystal structures, it is possible to study OmpF and OmpC in computer simulations. The ion conductance through these nano pores is simulated in all-atom molecular dynamics and the temperature dependence of the conductance is calculated for different salt concentrations. Good agreement can be observed in the comparison between simulations and experiments [1]. The advantage of molecular dynamics simulations is that they allow a deeper view on the molecular interactions leading to the macroscopic observation. Ion pathways can be followed and the interaction of ions with certain residues can be observed [2].

[1] S. Pezeshki, C. Chimerel, A. Bessenov, M. Winterhalter, U. Kleinekathöfer, Biophys. J. 97, 1898 (2009).

[2] C. Chimerel, L. Movileanu, S. Pezeshki, M. Winterhalter, U. Kleinekathöfer, Eur. Biophys. J. 38, 121 (2008).