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BP: Fachverband Biologische Physik

BP 8: Posters: Proteins

BP 8.23: Poster

Montag, 11. März 2013, 17:30–19:30, Poster B2

Langevin simulations of conformational changes in proteins under non-equilibrium conditions — •Anne Müller, Bernhard Reuter, and Martin E. Garcia — Theoretische Physik, Universität Kassel, Fachbereich 10, Kassel, Germany

Using the potential of a coarse-grained model of proteins developed by Nan-Yow Chen et al. [PhysRevLett.96.078103(2006)], we developed a program to simulate the folding dynamics of small, real proteins through integration of the Langevin equation of motion. The force field does not need any a priori information about the native state and is known to be able to describe the folding of proteins to both alpha-helices and beta-sheets. We have studied the folding behavior of proteins which present both secondary structures in their native state. In particular we investigated the influence of temperature gradients on the dynamics of the proteins during conformational changes.