Dresden 2014 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 14: Posters: Protein Structure and dynamics

BP 14.1: Poster

Dienstag, 1. April 2014, 09:30–12:30, P1

Langevin simulations of conformational changes in proteins under temperature gradients — •Anne Dorothee Müller and Martin E. Garcia — Theoretische Physik, Universität Kassel, Fachbereich 10, Kassel, Germany

We developed a program to simulate conformational changes in small, globular proteins under temperature gradients by integrating the Langevin equations of motion. This program uses a potential based on the coarse-grained model developed by Nan-Yow Chen et al. [PhysRevLett.96.078103(2006)]. Chen's force field does not need any a priori information about the native state of the protein and is known to be able to describe the folding of proteins to both alpha-helices and beta-sheets. Hence we investigated the protein 3ZNF which has part alpha-helix part beta-sheet as its native structures.