Glycan flexibility: insights into nanosecond dynamics from a microsecond molecular dynamics simulation explaining an unusual nuclear Overhauser effect

Carbohydrate Research

Volumn 345, Issue 2, 2010, Pages 330-333

  Landström, Jens ^a   Widmalm, Göran ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

Aeromonas salmonicida; Conformational exchange; Exchange NOE; Lipopolysaccharide; Molecular simulation; NMR

Indexed keywords

AEROMONAS SALMONICIDA; BIOMOLECULAR SYSTEM; BRANCHING REGION; CONFORMATIONAL DYNAMICS; CONFORMATIONAL EXCHANGE; EXPLICIT SOLVENTS; LIPOPOLYSACCHARIDES; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; NUCLEAR OVERHAUSER EFFECTS; O-CHAIN; PREDICTIVE POWER; TIME WINDOWS; TIME-SCALES;

CARBOHYDRATES; CONFORMATIONS; DYNAMICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE; POLYSACCHARIDES; SPIN-LATTICE RELAXATION;

SIMULATORS;

GLYCAN; TRISACCHARIDE;

AEROMONAS SALMONICIDA; ARTICLE; CARBOHYDRATE ANALYSIS; CONFORMATIONAL TRANSITION; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL;

AEROMONAS SALMONICIDA; CARBOHYDRATE CONFORMATION; CARBOHYDRATE SEQUENCE; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; TIME FACTORS; TRISACCHARIDES;

AEROMONAS SALMONICIDA;

EID: 72649089798     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2009.11.003     Document Type: Article

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