Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States

We here investigate the Electronic Circular Dichroism (ECD) Spectra of two representative Guanine-rich sequences folded in a Quadruple helix (GQ), by using a recently developed fragment diabatisation based excitonic model (FrDEx). FrDEx can include charge transfer (CT) excited states and consider th...

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Detalles Bibliográficos
Autores principales: Asha, Haritha, Green, James A., Martinez-Fernandez, Lara, Esposito, Luciana, Improta, Roberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8398971/
https://www.ncbi.nlm.nih.gov/pubmed/34443377
http://dx.doi.org/10.3390/molecules26164789

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8398971/
https://www.ncbi.nlm.nih.gov/pubmed/34443377
http://dx.doi.org/10.3390/molecules26164789

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