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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Vydané v:	International transactions in operational research Ročník 15; číslo 1; s. 1 - 17
Hlavní autori:	Liberti, Leo, Lavor, Carlile, Maculan, Nelson
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Oxford, UK Blackwell Publishing Ltd 01.01.2008
Predmet:	Algorithms Branch-and-Prune algorithm Geometry Molecular Distance Geometry Problem Molecular structure Operations research Studies
ISSN:	0969-6016, 1475-3995
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