Regensburg 2013 – scientific programme

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BP: Fachverband Biologische Physik

BP 8: Posters: Proteins

BP 8.22: Poster

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

Langevin simulations of proteins using models in generalized coordinates — •Sina Zendehroud, Anne Müller, and Martin E. Garcia — Theoretische Physik, Fachbereich 10, Universität Kassel. Kassel, Germany

Using the the coarse-grained protein model developed by Nan-Yow Chen et al. [Phys. Rev. Lett. 96, 078103 (2006)], we derived the Langevin equation of motion in generalized coordinates, namely the Ramachandran angles. We developed a code to integrate the aforementioned equation for small real proteins. The interaction potential does not need any a priori information about the native conformation. We have studied the folding behavior of different proteins.