Extending the geometric build-up algorithm for the molecular distance geometry problem

dc.creatorCarvalho, RD
dc.creatorLavor, C
dc.creatorProtti, F
dc.date2008
dc.dateOCT 31
dc.date2014-11-14T02:40:37Z
dc.date2015-11-26T17:12:48Z
dc.date2014-11-14T02:40:37Z
dc.date2015-11-26T17:12:48Z
dc.date.accessioned2018-03-29T00:01:12Z
dc.date.available2018-03-29T00:01:12Z
dc.identifierInformation Processing Letters. Elsevier Science Bv, v. 108, n. 4, n. 234, n. 237, 2008.
dc.identifier0020-0190
dc.identifierWOS:000260355400013
dc.identifier10.1016/j.ipl.2008.05.009
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/66533
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/66533
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/66533
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1281422
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionOne of the most important problems in computational biology is the determination of the three-dimensional structure of a protein using the amino acid sequence that generates it. This task can be experimentally performed by using NMR techniques. However, NMR data usually provide only a sparse set of distances between atoms of a molecule. In this case, the aim is to determine its three-dimensional structure using a set of distances for only some pairs of atoms. This problem is known as the Molecular Distance Geometry Problem (MDGP). This work extends the Geometric Build-up Algorithm (GBA) by Dong and Wu, proposed to solve instances of the MDGP. Computational results show that the presented approach, the Extended Geometric Build-up Algorithm (EGBA), is capable of dealing with instances not previously solved by the GBA. (C) 2008 Elsevier B.V. All rights reserved.
dc.description108
dc.description4
dc.description234
dc.description237
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionFundação de Amparo à Pesquisa do Estado do Rio de Janeiro (FAPERJ)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.languageen
dc.publisherElsevier Science Bv
dc.publisherAmsterdam
dc.publisherHolanda
dc.relationInformation Processing Letters
dc.relationInf. Process. Lett.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectComputational biology
dc.subjectMolecular distance geometry problem
dc.subjectNMR spectroscopy
dc.subjectGeometric build-up algorithm
dc.subjectAlgorithms
dc.subjectGlobal Optimization
dc.titleExtending the geometric build-up algorithm for the molecular distance geometry problem
dc.typeArtículos de revistas


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