Title:
Parallel-hat tempering: A Monte Carlo search scheme for the identification of low-energy structures

dc.contributor.author Zhang, Yang
dc.contributor.author Skolnick, Jeffrey
dc.contributor.corporatename Donald Danforth Plant Science Center. Laboratory of Computational Genomics
dc.date.accessioned 2009-02-16T17:25:56Z
dc.date.available 2009-02-16T17:25:56Z
dc.date.issued 2001-09-15
dc.description ©2001 American Institute of Physics en
dc.description The electronic version of this article is the complete one and can be found online at: http://link.aip.org/link/?JCPSA6/115/5027/1
dc.description DOI:10.1063/1.1396672
dc.description.abstract A new parallel-hat tempering algorithm has been developed for Monte Carlo simulations, in which a composite ensemble of noninteracting replicas of the molecule system at different temperatures is simulated, and the Markov process of each replica is driven by a hatlike weight factor with exponentially enhanced probability in both low- and high-energy regions. To test the algorithm, the methodology is applied to a homopolymeric protein chain located on a face-centered cubic lattice. We demonstrate that the ability of the current approach to search for low-energy molecule structures is significantly better than other Monte Carlo techniques found in the literature. en
dc.identifier.citation Journal of Chemical Physics, 2001:115: 5027-5032 en
dc.identifier.issn 0021-9606
dc.identifier.uri http://hdl.handle.net/1853/27029
dc.language.iso en_US en
dc.publisher Georgia Institute of Technology en
dc.publisher.original American Institute of Physics
dc.subject Proteins en
dc.subject Molecular biophysics en
dc.subject Entropy en
dc.subject Monte Carlo method en
dc.subject Probability en
dc.subject Markov processes en
dc.subject Molecular en
dc.title Parallel-hat tempering: A Monte Carlo search scheme for the identification of low-energy structures en
dc.type Text
dc.type.genre Article
dspace.entity.type Publication
local.contributor.author Skolnick, Jeffrey
local.contributor.corporatename College of Sciences
local.contributor.corporatename School of Biological Sciences
local.contributor.corporatename Center for the Study of Systems Biology
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relation.isOrgUnitOfPublication 85042be6-2d68-4e07-b384-e1f908fae48a
relation.isOrgUnitOfPublication c8b3bd08-9989-40d3-afe3-e0ad8d5c72b5
relation.isOrgUnitOfPublication d3d635bd-b38e-4ef6-a2d0-0875b9a83e34
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