Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach

As two biologically and medically relevant monosaccharides, the constituents of hyaluronic acid, d-glucuronic acid and N-acetyl-d-glucosamine, constitute perfect test cases for the development of carbohydrate-specific structural methods. These two molecules have been analysed by Raman optical activi...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2015-01, Vol.17 (8), p.6016-6027
Hauptverfasser:	Mutter, Shaun T, Zielinski, François, Cheeseman, James R, Johannessen, Christian, Popelier, Paul L A, Blanch, Ewan W
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetylglucosamine - chemistry Biomolecules Carbohydrates Dynamics Glucuronic Acid - chemistry Mathematical models Molecular dynamics Molecular Dynamics Simulation Monosaccharides Optical activity Quantum chemistry Quantum Theory Spectra Spectrum Analysis, Raman
Online-Zugang:	Volltext
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