Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures

The protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. D...

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Autores: Llanes, Antonio, Muñoz, Andrés, Sánchez, Antonia María, Cecilia Canales, José María, Bueno Crespo, Andrés, García Valverde, Teresa, Arcas Túnez, Francisco, Pérez Sánchez, Horacio
Tipo de recurso: artículo
Fecha de publicación:2016
País:España
Institución:Universidad Católica San Antonio de Murcia (UCAM)
Repositorio:RIUCAM. Repositorio Institucional de la Universidad Católica San Antonio de Murcia
OAI Identifier:oai:repositorio.ucam.edu:10952/3001
Acceso en línea:http://hdl.handle.net/10952/3001
Access Level:acceso abierto
Palabra clave:Soft computing
protein folding problem
Protein Structure Prediction
Parallel Computing
Distributed Computing
Metaheuristics
High Performance Computing
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spelling Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing ArchitecturesLlanes, AntonioMuñoz, AndrésSánchez, Antonia MaríaCecilia Canales, José MaríaBueno Crespo, AndrésGarcía Valverde, TeresaArcas Túnez, FranciscoPérez Sánchez, HoracioSoft computingprotein folding problemProtein Structure PredictionParallel ComputingDistributed ComputingMetaheuristicsHigh Performance ComputingThe protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. Different computational approaches have been developed by different researchers in order to foresee the threedimensional arrangement of atoms of proteins from their sequences. However, the computational complexity of this problem makes mandatory the search for new models, novel algorithmic strategies and hardware platforms that provide solutions in a reasonable time frame. We present in this revision work the past and last tendencies regarding protein folding simulations from both perspectives; hardware and software. Of particular interest to us are both the use of inexact solutions to this computationally hard problem as well as which hardware platforms have been used for running this kind of Soft Computing techniques.This work is jointly supported by the FundaciónSéneca (Agencia Regional de Ciencia y Tecnología, Región de Murcia) under grants 15290/PI/2010 and 18946/JLI/13, by the Spanish MEC and European Commission FEDER under grant with reference TEC2012-37945-C02-02 and TIN2012-31345, by the Nils Coordinated Mobility under grant 012-ABEL-CM-2014A, in part financed by the European Regional Development Fund (ERDF). We also thank NVIDIA for hardware donation within UCAM GPU educational and research centers.Ingeniería, Industria y ConstrucciónBentham Science2016info:eu-repo/semantics/articlehttp://hdl.handle.net/10952/3001reponame:RIUCAM. Repositorio Institucional de la Universidad Católica San Antonio de Murciainstname:Universidad Católica San Antonio de Murcia (UCAM)Inglésinfo:eu-repo/semantics/openAccessoai:repositorio.ucam.edu:10952/30012026-06-07T18:35:21Z
dc.title.none.fl_str_mv Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
title Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
spellingShingle Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
Llanes, Antonio
Soft computing
protein folding problem
Protein Structure Prediction
Parallel Computing
Distributed Computing
Metaheuristics
High Performance Computing
title_short Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
title_full Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
title_fullStr Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
title_full_unstemmed Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
title_sort Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
dc.creator.none.fl_str_mv Llanes, Antonio
Muñoz, Andrés
Sánchez, Antonia María
Cecilia Canales, José María
Bueno Crespo, Andrés
García Valverde, Teresa
Arcas Túnez, Francisco
Pérez Sánchez, Horacio
author Llanes, Antonio
author_facet Llanes, Antonio
Muñoz, Andrés
Sánchez, Antonia María
Cecilia Canales, José María
Bueno Crespo, Andrés
García Valverde, Teresa
Arcas Túnez, Francisco
Pérez Sánchez, Horacio
author_role author
author2 Muñoz, Andrés
Sánchez, Antonia María
Cecilia Canales, José María
Bueno Crespo, Andrés
García Valverde, Teresa
Arcas Túnez, Francisco
Pérez Sánchez, Horacio
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Soft computing
protein folding problem
Protein Structure Prediction
Parallel Computing
Distributed Computing
Metaheuristics
High Performance Computing
topic Soft computing
protein folding problem
Protein Structure Prediction
Parallel Computing
Distributed Computing
Metaheuristics
High Performance Computing
description The protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. Different computational approaches have been developed by different researchers in order to foresee the threedimensional arrangement of atoms of proteins from their sequences. However, the computational complexity of this problem makes mandatory the search for new models, novel algorithmic strategies and hardware platforms that provide solutions in a reasonable time frame. We present in this revision work the past and last tendencies regarding protein folding simulations from both perspectives; hardware and software. Of particular interest to us are both the use of inexact solutions to this computationally hard problem as well as which hardware platforms have been used for running this kind of Soft Computing techniques.
publishDate 2016
dc.date.none.fl_str_mv 2016
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10952/3001
url http://hdl.handle.net/10952/3001
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Bentham Science
publisher.none.fl_str_mv Bentham Science
dc.source.none.fl_str_mv reponame:RIUCAM. Repositorio Institucional de la Universidad Católica San Antonio de Murcia
instname:Universidad Católica San Antonio de Murcia (UCAM)
instname_str Universidad Católica San Antonio de Murcia (UCAM)
reponame_str RIUCAM. Repositorio Institucional de la Universidad Católica San Antonio de Murcia
collection RIUCAM. Repositorio Institucional de la Universidad Católica San Antonio de Murcia
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.301603

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