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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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Foilsithe in:Int J Mol Sci
Main Authors: Turupcu, Aysegül, Blaukopf, Markus, Kosma, Paul, Oostenbrink, Chris
Formáid: Artigo
Teanga:Inglês
Foilsithe: MDPI 2019
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Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6981865/
https://ncbi.nlm.nih.gov/pubmed/31861593
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms21010030
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