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Type: Artigo de periódico
Title: The interval Branch-and-Prune algorithm for the discretizable molecular distance geometry problem with inexact distances
Author: Lavor, C
Liberti, L
Mucherino, A
Abstract: The Distance Geometry Problem in three dimensions consists in finding an embedding in of a given nonnegatively weighted simple undirected graph such that edge weights are equal to the corresponding Euclidean distances in the embedding. This is a continuous search problem that can be discretized under some assumptions on the minimum degree of the vertices. In this paper we discuss the case where we consider the full-atom representation of the protein backbone and some of the edge weights are subject to uncertainty within a given nonnegative interval. We show that a discretization is still possible and propose the iBP algorithm to solve the problem. The approach is validated by some computational experiments on a set of artificially generated instances.
Subject: Distance geometry
Protein conformations
NMR data
Combinatorial optimization
Interval Branch and Prune
Country: Holanda
Editor: Springer
Rights: fechado
Identifier DOI: 10.1007/s10898-011-9799-6
Date Issue: 2013
Appears in Collections:Unicamp - Artigos e Outros Documentos

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