Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/201413
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dc.contributor.authorTrujillo, Cristina-
dc.contributor.authorRozas, Isabel-
dc.contributor.authorElguero, José-
dc.contributor.authorAlkorta, Ibon-
dc.contributor.authorSánchez-Sanz, Goar-
dc.date.accessioned2020-02-20T13:46:12Z-
dc.date.available2020-02-20T13:46:12Z-
dc.date.issued2019-
dc.identifierdoi: 10.1039/c9cp03694f-
dc.identifierissn: 1463-9076-
dc.identifierissn: 1463-9084-
dc.identifier.citationPhysical Chemistry Chemical Physics 21: 23645-23650 (2019)-
dc.identifier.urihttp://hdl.handle.net/10261/201413-
dc.description.abstractIntramolecular interactions have been proven to be the key to conformational control in drug-design. While chalcogen interactions have been shown to be present in certain ligands of the GK-GKRP target protein, in the present study, intramolecular chalcogen interactions through selenium are found to be even more promising since they form stronger interactions. Also, the flexibility/rigidity of the carbon backbone of the corresponding ligands is crucial in the conformational stability.-
dc.description.sponsorshipThis publication has emanated from research supported by Science Foundation Ireland (SFI 18/SIRG/5517). We are grateful to the Irish Centre for High-End Computing (ICHEC) for the provision of computational facilities.-
dc.languageeng-
dc.publisherRoyal Society of Chemistry (UK)-
dc.rightsclosedAccess-
dc.titleModulating intramolecular chalcogen bonds in aromatic (thio)(seleno)phene-based derivatives-
dc.typeartículo-
dc.identifier.doi10.1039/c9cp03694f-
dc.relation.publisherversionhttp://dx.doi.org/10.1039/c9cp03694f-
dc.date.updated2020-02-20T13:46:12Z-
dc.contributor.funderScience Foundation Ireland-
dc.relation.csic-
dc.identifier.funderhttp://dx.doi.org/10.13039/501100001602es_ES
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.openairetypeartículo-
item.fulltextNo Fulltext-
item.grantfulltextnone-
item.cerifentitytypePublications-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
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