Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem
Chemical Physics
2007-05-23 v1 Condensed Matter
Biological Physics
Computational Physics
q-bio
Abstract
We compare numerically the effectiveness of three recently proposed algorithms, multicanonical simulations, simulations in a 1/k-ensemble, and simulated tempering for the protein folding problem. For this we perform simulations with high statistics for one of the simplest peptides, Met-enkephalin. While the performances of all three approaches is much better than traditional methods, we find that the differences among the three are only marginal.
Cite
@article{arxiv.physics/9710019,
title = {Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem},
author = {Ulrich H. E. Hansmann and Yuko Okamoto},
journal= {arXiv preprint arXiv:physics/9710019},
year = {2007}
}
Comments
Latex, no figures include, for reprints send e-mail to authors