Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/66423
Type: Artigo de periódico
Title: EXPLOITING SYMMETRY PROPERTIES OF THE DISCRETIZABLE MOLECULAR DISTANCE GEOMETRY PROBLEM
Author: Mucherino, A
Lavor, C
Liberti, L
Abstract: The Discretizable Molecular Distance Geometry Problem (DMDGP) involves a subset of instances of the distance geometry problem for which some assumptions allowing for discretization are satisfied. The search domain for the DMDGP is a binary tree that can be effciently explored by employing a Branch & Prune (BP) algorithm. We showed in recent works that this binary tree may contain several symmetries, which are directly related to the total number of solutions of DMDGP instances. In this paper, we study the possibility of exploiting these symmetries for speeding up the solution of DMDGPs, and propose an extension of the BP algorithm that we named symmetry-driven BP (symBP). Computational experiments on artificial and protein instances are presented.
Subject: Protein conformation
NMR
distance geometry
discretization
branch-and-prune
symmetry
Country: Inglaterra
Editor: Imperial College Press
Rights: fechado
Identifier DOI: 10.1142/S0219720012420097
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

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