Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models

Details Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models

2007-10-23

arxiv.org/abs/0710.4353v1

in: Proceedings of the NIC Workshop 2006 "From Computational Biophysics to Systems Biology", NIC Series vol. 34 (NIC, Juelich,

Physics

Condensed Matter

Soft Condensed Matter

3 pages, 1 figure

Scientific paper

Simple coarse-grained hydrophobic-polar models for heteropolymers as the lattice HP and the off-lattice AB model allow a general classification of characteristic behaviors for hydrophobic-core based tertiary folding. The strongly reduced computational efforts enable one to reveal systematically the thermodynamic properties of comparatively long sequences in a wide temperature range of conformational activity. Based on a suitable cooperativity parameter, characteristic folding channels and free-energy landscapes, which have strong similarities with realistic folding paths, can be analysed.

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