Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/66533
Type: Artigo de periódico
Title: Extending the geometric build-up algorithm for the molecular distance geometry problem
Author: Carvalho, RD
Lavor, C
Protti, F
Abstract: One 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.
Subject: Computational biology
Molecular distance geometry problem
NMR spectroscopy
Geometric build-up algorithm
Algorithms
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/j.ipl.2008.05.009
Date Issue: 2008
Appears in Collections:Unicamp - Artigos e Outros Documentos

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