Computational models for light-tissue interactions
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2019
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SBFOTON INTERNATIONAL OPTICS AND PHOTONICS CONFERENCE
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Resumo
Computational 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.
Como referenciar
MACHADO, 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. Abstract... Piscataway, NJ, USA: IEEE, 2019. p. 26-26. Disponível em: http://repositorio.ipen.br/handle/123456789/32226. Acesso em: 20 Mar 2026.
Esta referência é gerada automaticamente de acordo com as normas do estilo IPEN/SP (ABNT NBR 6023) e recomenda-se uma verificação final e ajustes caso necessário.