Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem
chem-ph
2009-10-22 v2 Condensed Matter
High Energy Physics - Lattice
Chemical Physics
Abstract
We compare a few variants of the recently proposed multicanonical method with the well known simulated annealing for the effectiveness in search of the energy global minimum of a biomolecular system. For this we study in detail Met-enkephalin, one of the simplest peptides. We show that the new method not only outperforms simulated annealing in the search of the energy groundstate but also provides more statistical-mechanical information about the system.
Keywords
Cite
@article{arxiv.chem-ph/9411005,
title = {Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem},
author = {Ulrich H. E. Hansmann and Yuko Okamoto},
journal= {arXiv preprint arXiv:chem-ph/9411005},
year = {2009}
}
Comments
to be published in Physica A, LATEX 32 pages, figures available on request