This article is part of the supplement: Selected articles from the 8th International Symposium on Bioinformatics Research and Applications (ISBRA'12)
Solving the molecular distance geometry problem with inaccurate distance data
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
BMC Bioinformatics 2013, 14(Suppl 9):S7 doi:10.1186/1471-2105-14-S9-S7Published: 28 June 2013
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.