Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations

The conformation of saccharides in solution is challenging to characterize in the context of a single well-defined three-dimensional structure. Instead, they are better represented by an ensemble of conformations associated with their structural diversity and flexibility. In this study, we delineate...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-07, Vol.18 (28), p.18776-18794
Hauptverfasser:	Yang, Mingjun, Angles d'Ortoli, Thibault, Säwén, Elin, Jana, Madhurima, Widmalm, Göran, MacKerell, Alexander D
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbohydrates Computer simulation Flexibility Heterogeneity Linkages Mathematical models Organic Chemistry organisk kemi Saccharides Sampling
Online-Zugang:	Volltext
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