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Solution Conformation of Heparin Tetrasaccharide. DFT Analysis of Structure and Spin–Spin Coupling Constants

Density functional theory (DFT) has provided detailed information on the molecular structure and spin–spin coupling constants of heparin tetrasaccharide (GlcNS,6S-IdoA2S-GlcNS,6S-IdoA2S-OMe) representing the predominant heparin repeating-sequence. The fully optimised molecular structures of two tetr...

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Detalles Bibliográficos
Publicado en:Molecules
Main Authors: Hricovíni, Miloš, Hricovíni, Michal
Formato: Artigo
Idioma:Inglês
Publicado: MDPI 2018
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6278409/
https://ncbi.nlm.nih.gov/pubmed/30469334
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23113042
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