B3LYP/6-311++G** study of structure and spin-spin coupling constant in heparin disaccharide

Carbohydrate Research

Volumn 342, Issue 10, 2007, Pages 1350-1356

  Hricovini M ^a   Scholtzova E ^a   Bizik F ^b  

^a INSTITUTE OF CHEMISTRY   (Slovakia)

^b INSTITUTE OF VIROLOGY   (Slovakia)

Author keywords

Conformation; DFT calculations; Disaccharide; Heparin; NMR coupling constants

Indexed keywords

COMPUTATION THEORY; CONFORMATIONS; DESIGN FOR TESTABILITY; GEOMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEINS;

COUPLING CONSTANTS; HEPARIN DISACCHARIDES; INTERATOMIC DISTANCES; PYRANOSE RING; SPIN COUPLING CONSTANTS;

POLYSACCHARIDES;

CARBOXYLIC ACID; DISACCHARIDE; HEPARIN; PROTON; SULFATE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR STABILITY; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL;

CARBOHYDRATE CONFORMATION; DISACCHARIDES; HEPARIN; HYDROGEN BONDING; IDURONIC ACID; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; PROTONS;

EID: 34248651823     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2007.03.020     Document Type: Article

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