Solving the molecular distance geometry problem with inaccurate distance data

BMC Bioinformatics

Methodology Article

Michael Souza¹  Albert Muritiba¹  Nelson Maculan²  Carlile Lavor³ 

[1] Department of Statistics and Applied Mathematics, Federal University of Ceará, 60455-760, Ceará, Brazil;Institute Alberto Luiz Coimbra, Federal University of Rio de Janeiro, 21941-972, Rio de Janeiro, Brazil;Institute of Mathematics, Statistics and Scientific Computing, University of Campinas, 13083-859, Campinas, Brazil;

关键词: Nuclear Magnetic Resonance;    Protein Data Bank;    Nuclear Magnetic Resonance Experiment;    Nuclear Magnetic Resonance Technique;    Neighboring Residue;   

DOI  :  10.1186/1471-2105-14-S9-S7

来源: Springer

【 摘 要 】

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.

【 授权许可】

CC BY   
© Souza et al.; licensee BioMed Central Ltd. 2013