Regensburg 2007 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 9: Regulation and Signaling

BP 9.11: Vortrag

Dienstag, 27. März 2007, 12:45–13:00, H43

Coarse-Grained Lattice Model for Molecular Recognition — •Hans Behringer, Andreas Degenhard, and Friederike Schmid — Fakultät für Physik, Universität Bielefeld, D-33615 Bielefeld

Equilibrium aspects of molecular recognition are investigated using coarse-grained models for the recognition process of two rigid biomolecules. To this end, a two-stage approach is adopted. First, the structure of the target molecule is fixed and learned by a probe molecule resulting in an ensemble of probe sequences. In a second step the recognition ability of the designed probe ensemble with respect to the chosen target sequence is tested by comparing the free energy of association with the previously fixed target structure and a different competing structure. Particular attention is paid to the influence of cooperative effects accompanying the association of the target biomolecule and the probe molecules. Cooperativity is found to enhance selectivity. In addition it is discussed how correlated hydrophobicity distributions affect the recognition ability.

Behringer, H., A. Degenhard, F. Schmid 2006, Coarse-Grained Lattice Model for Molecular Recognition, Phys. Rev. Lett. 97, 128101.