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BP: Fachverband Biologische Physik

BP 14: Posters: Protein Structure and dynamics

BP 14.12: Poster

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

Friction between hydrogen bonding peptides — •Julian Kappler and Roland Netz — Institut für Theoretische Physik, Freie Universität Berlin, 14195 Berlin, Germany

Understanding how friction arises from microscopic interactions is not only important for improving the efficiency of machines, but also for a detailed understanding of biologically relevant systems. We use all-atom MD simulations to study the friction between pairs of various kinds of stretched homo-polypeptide strands in water: While fixing one peptide strand, we pull the second one with constant velocity along its axis, thereby simulating a non-equilibrium steady state. In our analysis we particularly focus on the roles of i) the hydrogen bonds (and cooperative effects thereof) between the pairs and ii) the interaction of the pulled peptide with the surrounding water.