TBI-Preprint 06-03-001
Download:
[PostScript]
[PDF]
Titel:
Exploring the lower part of discrete polymer model energy landscapes
Author(s):
Michael T. Wolfinger,
Sebastian Will,
Ivo L. Hofacker,
Rolf Backofen,
Peter F. Stadler
appeared in:
Europhys. Lett. 74(4): 726-732 (2006)
Abstract:
We present a generic, problem independent algorithm for exploration of
the low-energy portion of the energy landscape of discrete systems and
apply it to the energy landscape of lattice proteins. Starting from a set
of optimal and near-optimal conformations derived from a constraint-based
search technique, we are able to selectively investigate the lower part
of lattice protein energy landscapes in two and three dimensions. This
novel approach allows, in contrast to exhaustive enumeration, for an
efficient calculation of optimal and near-optimal structures below a
given energy threshold and is only limited by the available amount of
memory. A straightforward application of the algorithm is calculation of
barrier trees (representing the energy landscape), which then allows
dynamics studies based on landscape theory.
Keywords:
Energy Landscapes,
Lattice Proteins
Return to 2006 working papers list.
Last modified: 2006-03-23 12:51:47 mtw