Berlin 2005 – wissenschaftliches Programm

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DY: Dynamik und Statistische Physik

DY 34: Poster

DY 34.63: Poster

Montag, 7. März 2005, 15:30–18:00, Poster TU D

Coarse-Grained Polymer Models: On-Lattice vs. Off-Lattice — •Thomas Vogel, Michael Bachmann, and Wolfhard Janke — Institut für Theoretische Physik, Universität Leipzig, Augustusplatz 10/11, 04109 Leipzig, Germany

We investigated coarse-grained polymer models such as the HP on-lattice and the AB off-lattice formulations for heteropolymers (“proteins”). The poster will focus on the results of two problems.

Firstly, we will give results of investigations concerning designing sequences in the HP model on lattices. To this end we perform exact enumerations of the whole sequence-conformation space of HP proteins on the fcc lattice up to a certain chain length and compare with results from the simple cubic lattice.

Secondly we try to show how “far” lattice models are from “reality”, or from similar off-lattice models, respectively. Therefore we simulate off-lattice AB model-like proteins with different potentials and compare putative ground states with those from on-lattice simulations.