Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5030
DC FieldValueLanguage
dc.contributor.authorSinicropi, Adalgisaen_us
dc.contributor.authorAndruniow, T.en_us
dc.contributor.authorFerré, N.en_us
dc.contributor.authorBasosi, Riccardoen_us
dc.contributor.authorOlivucci, Massimoen_us
dc.date.accessioned2021-03-30T15:48:31Z-
dc.date.available2021-03-30T15:48:31Z-
dc.date.issued2005-
dc.identifier.issn0002-7863en_US
dc.identifier.urihttp://hdl.handle.net/20.500.12779/5030-
dc.description43110en_US
dc.description.abstractA “brute-force” ab initio CASPT2//CASSCF/CHARMM computational approach is employed to investigate the properties of the emitting state of the wild-type green fluorescence protein. The results indicate that the emitting moiety corresponds to a slightly perturbed H2O-chromophore complex. Thus, the protein matrix seems to be designed in such a way to mimic an environment that is more similar to gas-phase than water solution.en_US
dc.language.isoenen_US
dc.relationNoneen_US
dc.relation.ispartofJOURNAL OF THE AMERICAN CHEMICAL SOCIETYen_US
dc.subjectQuantum Mechanics/Molecular Mechanics (QM/MM); Green Fluorescent Protein; Computational Photobiologyen_US
dc.titleProperties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM levelen_US
dc.typeArticleen_US
dc.identifier.doi10.1021/ja045269nen_US
dc.identifier.pmid16104693en_US
dc.identifier.scopus2-s2.0-23944508561en_US
dc.identifier.isiWOS:000231454100001en_US
dc.identifier.urlhttp://pubs.acs.org/doi/abs/10.1021/ja045269nen_US
dc.relation.volume127en_US
dc.relation.issue33en_US
dc.description.firstpage11534en_US
dc.description.lastpage11535en_US
dc.description.thirdmissionNot applicableen_US
item.cerifentitytypePublications-
item.grantfulltextnone-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextNo Fulltext-
crisitem.author.orcid0000-0001-5605-6482-
crisitem.author.orcid0000-0003-1026-7668-
crisitem.author.orcid0000-0002-8247-209X-
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