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Solving the molecular distance geometry problem with inaccurate distance data.

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.

SUBMITTER: Souza M 

PROVIDER: S-EPMC3698034 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Solving the molecular distance geometry problem with inaccurate distance data.

Souza Michael M   Lavor Carlile C   Muritiba Albert A   Maculan Nelson N  

BMC bioinformatics 20130628

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. ...[more]

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