Regensburg 2013 – scientific programme

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BP: Fachverband Biologische Physik

BP 8: Posters: Proteins

BP 8.29: Poster

Monday, March 11, 2013, 17:30–19:30, Poster B2

Non-Equilibrium MD simulations of intramolecular signaling in allosteric proteins — •Sebastian Waltz — Biomolecular Dynamics Physik Institut Uni-Freiburg

The interaction of a protein with another protein or ligand causes local energetic and or conformational changes of the protein around the binding side. This structural changes may propagate through the protein and produce functional changes at the distant side. This process is often referred to as allostery. There is an ongoing discussion about the signaling pathway and on the timescale on which the information travels along the protein. To resolve this open question, we perform intensive Non-equilibrium molecular dynamic simulations of a photoinduced conformational change and intramolecular signaling, that allow us to observe the functioning of the protein in real time. The goal is to directly prove the existence of dynamically driven pathways of intramolecular signaling.