Solving the molecular distance geometry problem with inaccurate distance data
Michael Souza, Carlile Lavor, Albert Einstein Fernandes Muritiba, Nelson Maculan · BMC Bioinformatics · 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.