Computational models for light-tissue interactions

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dc.contributor.authorMACHADO, NEILApt_BR
dc.contributor.authorSATO, ERIKApt_BR
dc.contributor.authorBORTOLETTO, DAIANApt_BR
dc.contributor.authorLIMA, CASSIOpt_BR
dc.contributor.authorZEZELL, DENISE M.pt_BR
dc.contributor.authorMARTINHO, HERCULANOpt_BR
dc.coverageInternacionalpt_BR
dc.creator.eventoSBFOTON INTERNATIONAL OPTICS AND PHOTONICS CONFERENCEpt_BR
dc.date.accessioned2021-09-06T14:44:07Z
dc.date.available2021-09-06T14:44:07Z
dc.date.eventoOctober 7-9, 2019pt_BR
dc.description.abstractComputational simulations could be used as a tool to better understand how biochemical changes translate into structural changes that generate pathological states. By computational calculations, it is possible to obtain the vibrational spectrum of molecules and macromolecules. It is possible to verify which atoms or molecules contribute to the existence of each characteristic vibrational mode, identify and interpret the interactions between these modes, and associate these pieces of information to the pathological processes. In this work we will present recent advances from our group by using density functional theory (DFT) to model normal, inflammatory, and tumoral tissues in a minimalist way (100 atoms). Comparison with experimental data (vibrational spectroscopy data) will also be presented. Perspectives on using molecular dynamics on large models (> 60,000 atoms) will also be discussed.pt_BR
dc.event.siglaSBFoton IOPCpt_BR
dc.format.extent26-26pt_BR
dc.identifier.citationMACHADO, NEILA; SATO, ERIKA; BORTOLETTO, DAIANA; LIMA, CASSIO; ZEZELL, DENISE M.; MARTINHO, HERCULANO. Computational models for light-tissue interactions: recent advances. In: SBFOTON INTERNATIONAL OPTICS AND PHOTONICS CONFERENCE, October 7-9, 2019, São Paulo, SP. <b>Abstract...</b> Piscataway, NJ, USA: IEEE, 2019. p. 26-26. Disponível em: http://repositorio.ipen.br/handle/123456789/32226.
dc.identifier.orcid0000-0001-7404-9606pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-7404-9606
dc.identifier.urihttp://repositorio.ipen.br/handle/123456789/32226
dc.localPiscataway, NJ, USApt_BR
dc.local.eventoSão Paulo, SPpt_BR
dc.publisherIEEEpt_BR
dc.rightsopenAccesspt_BR
dc.titleComputational models for light-tissue interactionspt_BR
dc.typeResumo de eventos científicospt_BR
dspace.entity.typePublication
ipen.autorDENISE MARIA ZEZELL
ipen.autorCASSIO APARECIDO LIMA
ipen.codigoautor693
ipen.codigoautor11396
ipen.contributor.ipenauthorDENISE MARIA ZEZELL
ipen.contributor.ipenauthorCASSIO APARECIDO LIMA
ipen.date.recebimento21-09
ipen.event.datapadronizada2019pt_BR
ipen.identifier.ipendoc27995pt_BR
ipen.notas.internasAbstractpt_BR
ipen.subtitulorecent advancespt_BR
ipen.type.genreResumo
relation.isAuthorOfPublicationa565f8ad-3432-4891-98c0-a587f497db21
relation.isAuthorOfPublication72af3b0f-7d99-44eb-a234-9027c26dc589
relation.isAuthorOfPublication.latestForDiscovery72af3b0f-7d99-44eb-a234-9027c26dc589
sigepi.autor.atividadeZEZELL, DENISE M.:693:920:Npt_BR
sigepi.autor.atividadeLIMA, CASSIO:11396:920:Npt_BR
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