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dc.contributor.authorDražić, Milanen
dc.contributor.authorLavor, Carlileen
dc.contributor.authorMaculan, Nelsonen
dc.contributor.authorMladenović, Nenaden
dc.date.accessioned2020-05-02T16:42:11Z-
dc.date.available2020-05-02T16:42:11Z-
dc.date.issued2008-03-16en
dc.identifier.issn0377-2217en
dc.description.abstractWe develop a continuous variable neighborhood search heuristic for minimizing the potential energy function of a molecule. Computing the global minimum of this function is very difficult because it has a large number of local minimizers which grows exponentially with molecule size. Experimental evidence shows that in the great majority of cases the global minimum potential energy of a given molecule corresponds to its three-dimensional structure and this structure is important because it dictates most of the properties of the molecule. Computational results for problems with up to 200 degrees of freedom are presented and favourable compared with other two existing methods from the literature.en
dc.publisherElsevier-
dc.relation.ispartofEuropean Journal of Operational Researchen
dc.subjectContinuous variable neighborhood search | Global optimization | Molecular conformationsen
dc.titleA continuous variable neighborhood search heuristic for finding the three-dimensional structure of a moleculeen
dc.typeArticleen
dc.identifier.doi10.1016/j.ejor.2006.06.052en
dc.identifier.scopus2-s2.0-34848837594en
dc.relation.firstpage1265en
dc.relation.lastpage1273en
dc.relation.issue3en
dc.relation.volume185en
dc.description.rankM21-
item.grantfulltextnone-
item.cerifentitytypePublications-
item.fulltextNo Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
crisitem.author.orcid0000-0001-6655-0409-
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