A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem

Leo Liberti; Carlile Lavor; Nelson Maculan

doi:10.1111/j.1475-3995.2007.00622.x

A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem

Leo Liberti
, Carlile Lavor
, Nelson Maculan

University of Campinas (UNICAMP)
Instituto de Biofisica da UFRJ

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

Résumé

The Molecular Distance Geometry Problem consists in finding the positions in of the atoms of a molecule, given some of the inter-atomic distances. We show that under an additional requirement on the given distances this can be transformed to a combinatorial problem. We propose a Branch-and-Prune algorithm for the solution of this problem and report on very promising computational results.

langue originale	Anglais
Pages (de - à)	1-17
Nombre de pages	17
journal	International Transactions in Operational Research
Volume	15
Numéro de publication	1
Les DOIs	https://doi.org/10.1111/j.1475-3995.2007.00622.x
état	Publié - 1 janv. 2008

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10.1111/j.1475-3995.2007.00622.x

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title = "A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem",

abstract = "The Molecular Distance Geometry Problem consists in finding the positions in of the atoms of a molecule, given some of the inter-atomic distances. We show that under an additional requirement on the given distances this can be transformed to a combinatorial problem. We propose a Branch-and-Prune algorithm for the solution of this problem and report on very promising computational results.",

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A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem

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