Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models

Abstract

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.