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

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 alg...

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Bibliographic Details

Published in:	International transactions in operational research Vol. 15; no. 1; pp. 1 - 17
Main Authors:	Liberti, Leo, Lavor, Carlile, Maculan, Nelson
Format:	Journal Article
Language:	English
Published:	Oxford, UK Blackwell Publishing Ltd 01.01.2008
Subjects:	Algorithms Branch-and-Prune algorithm Geometry Molecular Distance Geometry Problem Molecular structure Operations research Studies
ISSN:	0969-6016, 1475-3995
Online Access:	Get full text
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