NDLI: A symmetry-driven BP algorithm for the Discretizable Molecular Distance Geometry Problem

Content Provider	IEEE Xplore Digital Library
Author	Mucherino, A. Lavor, C. Liberti, L.
Copyright Year	2011
Description	Author affiliation: LIX, Ecole Polytechnique, Palaiseau, France (Liberti, L.) \|\| IMECC-UNICAMP, Campinas-SP, Brazil (Lavor, C.) \|\| IRISA, University of Rennes 1, Rennes, France (Mucherino, A.)
Abstract	Branch & Prune (BP) is a deterministic algorithm for the solution of the Discretizable Molecular Distance Geometry Problem (DMDGP). This problem has important applications in the field of structural biology, in particular for the determination of the three-dimensional conformation of a molecule by using information obtained by NMR techniques. In recent works, we proved that the search domain of the DMDGP, which is represented by a binary tree, contains various symmetries which are related to the number of solutions to the problem. In the present work, we propose a variant of the BP algorithm which is able to exploit the information regarding the symmetries to speed up the search. Computational experiments show that the symmetry-driven BP (symBP) outperforms the original BP algorithm in particular when instances having several solutions are considered.
Starting Page	390
Ending Page	395
File Size	868589
Page Count	6
File Format	PDF
ISBN	9781457716126
e-ISBN	9781457716133
DOI	10.1109/BIBMW.2011.6112403
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2011-11-12
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Proteins Geometry Atomic measurements Atomic layer deposition Conferences Binary trees Nuclear magnetic resonance
Content Type	Text
Resource Type	Article

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