Regensburg 2007 – scientific programme
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BP: Fachverband Biologische Physik
BP 4: Protein Structure and Folding
BP 4.1: Talk
Monday, March 26, 2007, 17:30–17:45, H43
MODELS FOR PROTEIN FOLDING — •PEDRO OJEDA1, NAN-YOW CHEN2, AURORA LONDONO3, and MARTIN GARCIA1 — 1Theoretische Physik, FB 18, Universitaet Kassel, Kassel, Germany — 2Institute of Physics, Academic Sinica, Nankang, Taiwan — 3Department of Molecular Biology, IPICYT, S.L.P., Mexico
The problem of predicting the native structure of a protein for a given sequence is of great interest due to its relevance to many fields in Biology. Up to now two kinds of models were developed to qualitatively explain some aspects of the folding-problem, but the complete solution of the problem is still missing. One of those models is called deterministic because it considers all atoms and all interactions. The simulations require sophisticated computer resources. Another approach is called stochastic because it makes use of the so called Markov processess. This method has the advantage of requiring only a personal computer to obtain the solution.
In this work we employ Monte Carlo scheme and consider an Off-lattice model in which the degrees of freedom are the so-called Ramachandran angles. The potential energy is calculated as in PRL 96, 078103 (2006).
Using this method we were able to predict the native structure of diferent proteins.