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http://hdl.handle.net/10261/201413
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Trujillo, Cristina | - |
dc.contributor.author | Rozas, Isabel | - |
dc.contributor.author | Elguero, José | - |
dc.contributor.author | Alkorta, Ibon | - |
dc.contributor.author | Sánchez-Sanz, Goar | - |
dc.date.accessioned | 2020-02-20T13:46:12Z | - |
dc.date.available | 2020-02-20T13:46:12Z | - |
dc.date.issued | 2019 | - |
dc.identifier | doi: 10.1039/c9cp03694f | - |
dc.identifier | issn: 1463-9076 | - |
dc.identifier | issn: 1463-9084 | - |
dc.identifier.citation | Physical Chemistry Chemical Physics 21: 23645-23650 (2019) | - |
dc.identifier.uri | http://hdl.handle.net/10261/201413 | - |
dc.description.abstract | Intramolecular 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.sponsorship | This 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.language | eng | - |
dc.publisher | Royal Society of Chemistry (UK) | - |
dc.rights | closedAccess | - |
dc.title | Modulating intramolecular chalcogen bonds in aromatic (thio)(seleno)phene-based derivatives | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1039/c9cp03694f | - |
dc.relation.publisherversion | http://dx.doi.org/10.1039/c9cp03694f | - |
dc.date.updated | 2020-02-20T13:46:12Z | - |
dc.contributor.funder | Science Foundation Ireland | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100001602 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.fulltext | No Fulltext | - |
item.grantfulltext | none | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
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