Artículos de revistas
Extending the geometric build-up algorithm for the molecular distance geometry problem
Registro en:
Information Processing Letters. Elsevier Science Bv, v. 108, n. 4, n. 234, n. 237, 2008.
0020-0190
WOS:000260355400013
10.1016/j.ipl.2008.05.009
Autor
Carvalho, RD
Lavor, C
Protti, F
Institución
Resumen
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) 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. 108 4 234 237 Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Fundação de Amparo à Pesquisa do Estado do Rio de Janeiro (FAPERJ) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)