Molecular conformations in the pentasaccharide LNF-1 derived from NMR spectroscopy and molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 115, Issue 21, 2011, Pages 7109-7121

  Säwén, Elin ^a   Stevensson, Baltzar ^a   Östervall, Jennie ^a   Maliniak, Arnold ^a   Widmalm, Göran ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE COMPOUNDS; COMPUTER SIMULATION; CONFORMATIONS; DYNAMICS; EXPERIMENTS; HYDROGEN; HYDROGEN BONDS; ISOMERIZATION; ISOMERS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONS; RELAXATION PROCESSES; SACCHARIFICATION; SUGARS;

CONFORMATIONAL ANALYSIS; CONFORMATIONAL DYNAMICS; CONFORMATIONAL SPACE; CROSSRELAXATION; EXPERIMENTAL DATA; EXPLICIT WATER; FLEXIBLE MOLECULES; GLYCOSIDIC LINKAGES; HADAMARD; HOMONUCLEAR; HUMAN MILK OLIGOSACCHARIDES; INTER-RESIDUE HYDROGEN BONDS; INTRAMOLECULAR HYDROGEN BOND; ISOTROPIC SOLUTIONS; J COUPLING; LIQUID-CRYSTALLINE; LYOTROPICS; MD SIMULATION; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; NMR RELAXATION; NMR SPECTROSCOPY; NUCLEAR SPIN RELAXATION; ORDER PARAMETER; PENTASACCHARIDES; REDUCING ENDS; RELAXATION TIME CONSTANT; REORIENTATION TIME; RESIDUAL DIPOLAR COUPLINGS; SUGAR RINGS; TIME CONSTANTS; TORSION ANGLE; WELL-DEFINED STRUCTURES;

MOLECULAR DYNAMICS;

EID: 79957622311     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2017105     Document Type: Article

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