Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2005-08-25
Phys. Rev. E 72 (2005) 051929
Physics
Condensed Matter
Soft Condensed Matter
10 pages, 16 figures, submitted to Physical. Review. E
Scientific paper
10.1103/PhysRevE.72.051929
A method to reconstruct the energy landscape of small peptides is presented with reference to a 2d off--lattice model. The starting point is a statistical analysis of the configurational distances between generic minima and directly connected pairs (DCP). As the mutual distance of DCP is typically much smaller than that of generic pairs, a metric criterion can be established to identify the great majority of DCP. Advantages and limits of this approach are thoroughly analyzed for three different heteropolymeric chains. A funnel--like structure of the energy landscape is found in all of the three cases, but the escape rates clearly reveal that the native configuration is more easily accessible (and is significantly more stable) for the sequence that is expected to behave as a real protein.
Bongini Lorenzo
Livi Roberto
Politi Antonio
Torcini Alessandro
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