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Molecular Conformations of Di-, Tri-, and Tetra-α-(2→8)-Linked Sialic Acid from NMR Spectroscopy and MD Simulations

By using molecular dynamics simulations with an efficient enhanced sampling technique and in combination with nuclear magnetic resonance (NMR) spectroscopy quantitative structural information on [Formula: see text]-2,8-linked sialic acids is presented. We used a bottom-up approach to obtain a set of...

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Detalles Bibliográficos
Autores principales:	Turupcu, Aysegül, Blaukopf, Markus, Kosma, Paul, Oostenbrink, Chris
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6981865/ https://www.ncbi.nlm.nih.gov/pubmed/31861593 http://dx.doi.org/10.3390/ijms21010030

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