Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics

Detalhes bibliográficos
Autor(a) principal: Hansmann,Ulrich H.E.
Data de Publicação: 1999
Outros Autores: Okamoto,Yuko
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000100017
Resumo: We review uses of Tsallis statistical mechanics in the protein folding problem. Monte Carlo simulated annealing algorithm and generalized-ensemble algorithm with both Monte Carlo and stochastic dynamics algorithms are discussed. Simulations by these algorithms are performed for a penta peptide, Met-enkephalin. In particular, for generalized-ensemble algorithms, it is shown that from only one simulation run one can find the global-minimum-energy conformation and obtain probability distributions in canonical ensemble for a wide temperature range, which allows the calculation of any thermodynamic quantity as a function of temperature.
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spelling Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statisticsWe review uses of Tsallis statistical mechanics in the protein folding problem. Monte Carlo simulated annealing algorithm and generalized-ensemble algorithm with both Monte Carlo and stochastic dynamics algorithms are discussed. Simulations by these algorithms are performed for a penta peptide, Met-enkephalin. In particular, for generalized-ensemble algorithms, it is shown that from only one simulation run one can find the global-minimum-energy conformation and obtain probability distributions in canonical ensemble for a wide temperature range, which allows the calculation of any thermodynamic quantity as a function of temperature.Sociedade Brasileira de Física1999-03-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000100017Brazilian Journal of Physics v.29 n.1 1999reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97331999000100017info:eu-repo/semantics/openAccessHansmann,Ulrich H.E.Okamoto,Yukoeng1999-09-17T00:00:00Zoai:scielo:S0103-97331999000100017Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:1999-09-17T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
title Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
spellingShingle Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
Hansmann,Ulrich H.E.
title_short Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
title_full Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
title_fullStr Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
title_full_unstemmed Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
title_sort Tackling the protein folding problem by a generalized-ensemble approach with Tsallis statistics
author Hansmann,Ulrich H.E.
author_facet Hansmann,Ulrich H.E.
Okamoto,Yuko
author_role author
author2 Okamoto,Yuko
author2_role author
dc.contributor.author.fl_str_mv Hansmann,Ulrich H.E.
Okamoto,Yuko
description We review uses of Tsallis statistical mechanics in the protein folding problem. Monte Carlo simulated annealing algorithm and generalized-ensemble algorithm with both Monte Carlo and stochastic dynamics algorithms are discussed. Simulations by these algorithms are performed for a penta peptide, Met-enkephalin. In particular, for generalized-ensemble algorithms, it is shown that from only one simulation run one can find the global-minimum-energy conformation and obtain probability distributions in canonical ensemble for a wide temperature range, which allows the calculation of any thermodynamic quantity as a function of temperature.
publishDate 1999
dc.date.none.fl_str_mv 1999-03-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000100017
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000100017
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97331999000100017
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.29 n.1 1999
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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