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This article is part of the supplement: Selected articles from the 8th International Symposium on Bioinformatics Research and Applications (ISBRA'12)

Open Access Methodology Article

Solving the molecular distance geometry problem with inaccurate distance data

Michael Souza1*, Carlile Lavor2, Albert Muritiba1 and Nelson Maculan3

Author Affiliations

1 Department of Statistics and Applied Mathematics, Federal University of Ceará, Ceará, 60455-760, Brazil

2 Institute of Mathematics, Statistics and Scientific Computing, University of Campinas, Campinas, 13083-859, Brazil

3 Institute Alberto Luiz Coimbra, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-972, Brazil

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BMC Bioinformatics 2013, 14(Suppl 9):S7  doi:10.1186/1471-2105-14-S9-S7

Published: 28 June 2013

Abstract

We present a new iterative algorithm for the molecular distance geometry problem with inaccurate and sparse data, which is based on the solution of linear systems, maximum cliques, and a minimization of nonlinear least-squares function. Computational results with real protein structures are presented in order to validate our approach.