Theoretical–Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method

The electronic circular dichroism (ECD) spectra of aqueous d-glucose and d-galactose were modeled using a theoretical–computational approach combining molecular dynamics (MD) simulations and perturbed matrix method (PMM) calculations, hereafter termed MD-PMM. The experimental spectra were reproduced...

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Detalles Bibliográficos
Autores principales: Aschi, Massimiliano, Palombi, Laura, Amadei, Andrea
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10144652/
https://www.ncbi.nlm.nih.gov/pubmed/37110825
http://dx.doi.org/10.3390/molecules28083591

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10144652/
https://www.ncbi.nlm.nih.gov/pubmed/37110825
http://dx.doi.org/10.3390/molecules28083591

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