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Application of Paramagnetic NMR-Validated Molecular Dynamics Simulation to the Analysis of a Conformational Ensemble of a Branched Oligosaccharide

Oligosaccharides of biological importance often exhibit branched covalent structures and dynamic conformational multiplicities. Here we report the application of a method that we developed, which combined molecular dynamics (MD) simulations and lanthanide-assisted paramagnetic NMR spectroscopy, to e...

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Detalles Bibliográficos
Autores principales: Zhang, Ying, Yamamoto, Sayoko, Yamaguchi, Takumi, Kato, Koichi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268797/
https://www.ncbi.nlm.nih.gov/pubmed/22728360
http://dx.doi.org/10.3390/molecules17066658