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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/129001
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dc.contributor.authorSato, Erika Tiemi-
dc.contributor.authorRocha, Alexandre Reily-
dc.contributor.authordas Chagas e Silva de Carvalho, Luis Felipe-
dc.contributor.authorAlmeida, Janete Dias-
dc.contributor.authorMartinho, Herculano-
dc.date.accessioned2015-10-21T20:11:00Z-
dc.date.accessioned2016-10-25T21:08:07Z-
dc.date.available2015-10-21T20:11:00Z-
dc.date.available2016-10-25T21:08:07Z-
dc.date.issued2015-06-25-
dc.identifierhttp://journals.aps.org/pre/abstract/10.1103/PhysRevE.91.063310-
dc.identifier.citationPhysical Review E, v. 91, n. 6, p. 1-6, 2015.-
dc.identifier.issn1539-3755-
dc.identifier.urihttp://hdl.handle.net/11449/129001-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/129001-
dc.description.abstractA density-functional microscopic model for soft tissues (STmod) is presented. The model was based on a prototype molecular structure from experimentally resolved type I collagen peptide residues and water clusters treated in periodic boundary conditions. We obtained the optimized geometry, binding and coupling energies, dipole moments, and vibrational frequencies. The results concerning the stability of the confined water clusters, the water-water, and water-collagen interactions were successfully correlated to some important experimental trends of normal and inflammatory tissues.en
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)-
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
dc.format.extent1-6-
dc.language.isoeng-
dc.publisherAmer Physical Soc-
dc.sourceWeb of Science-
dc.titleMolecular model for hydrated biological tissuesen
dc.typeoutro-
dc.contributor.institutionUniversidade Federal do ABC (UFABC)-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionDublin Inst Technol-
dc.description.affiliationUniv Fed ABC, BR-09210580 Santo Andre, SP, Brazil-
dc.description.affiliationUniv Estadual Paulista, UNESP, Inst Fis Teor, BR-01140070 Sao Paulo, SP, Brazil-
dc.description.affiliationDublin Inst Technol, FOCAS Inst, Dublin 8, Ireland-
dc.description.affiliationUniv Estadual Paulista, UNESP, Inst Ciencia &Tecnol, Dept Biociencias Diagnost Bucal, BR-12245000 Sao Jose Dos Campos, SP, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, Instituto de Física Teórica (IFT), BR-01140070 Sao Paulo, SP, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, UNESP, Inst Ciencia &Tecnol, Dept Biociencias Diagnost Bucal, BR-12245000 Sao Jose Dos Campos, SP, Brazil-
dc.identifier.doihttp://dx.doi.org/10.1103/PhysRevE.91.063310-
dc.identifier.wosWOS:000356900600011-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofPhysical Review E-
dc.identifier.orcid0000-0001-8874-6947pt
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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