Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2005-01-17
Comp. Phys. Commun. 166, 8-16 (2005).
Physics
Condensed Matter
Statistical Mechanics
15pp, elsart.cls, 19 postscript figures, author information under http://www.physik.uni-leipzig.de/index.php?id=22
Scientific paper
10.1016/j.cpc.2004.09.011
We present an algorithm for the exhaustive enumeration of all monomer sequences and conformations of short lattice proteins as described by the hydrophobic-polar (HP) model. The algorithm is used for an exact identification of all designing sequences of HP proteins consisting of up to 19 monomers whose conformations are represented by interacting self-avoiding walks on the simple cubic lattice. Employing a parallelized implementation on a Linux cluster, we generate the complete set of contact maps of such walks.
Bachmann Michael
Janke Wolfhard
Schiemann Reinhard
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