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BioSoft-Colloquium: "From semi-flexible chains to protein thermodynamics:Insights from advanced Monte Carlo simulations"

Prof. W. Paul, Martin-Luther-Universität Halle-Wittenberg

30 Jun 2014 14:00


I will present results from recent simulations addressing two basic polymer physics questions: i) What are the statistical properties of semi-flexible polymers like, e.g., DNA in bulk and adsorbed on surfaces? We addressed this question by means of Pruned Enriched Rosenbluth Method simulations and showed the limited applicability of the worm-like chain model to capture their statistical properties. ii) What is the nature of the collapse (or folding) transition of a single polymer chain? We addressed this question by means of Wang-Landau simulations and showed that the collapse transition can be first order even for completely flexible chains. In nature, this situation is realized for two-state folding proteins.


Prof. Dr. Dieter Richter
Phone: +49 2461 61-2499
Fax: +49 2461 61-2610
email: d.richter@fz-juelich.de