Molecular dynamics simulations of an oligosaccharide using a force field modified for carbohydrates

Carbohydrate Research

Volumn 338, Issue 5, 2003, Pages 393-398

  Eklund, Robert ^a   Widmalm, Göran ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

CHARMM; Conformation; Density functional theory; Molecular mechanics; NMR

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLVENTS; WATER;

MOLECULAR DYNAMIC SIMULATIONS;

POLYSACCHARIDES;

CARBOHYDRATE; OLIGOSACCHARIDE; PROTON; PYRAN DERIVATIVE; SOLVENT; TRISACCHARIDE; WATER;

CALCULATION; CHEMICAL MODIFICATION; CONFERENCE PAPER; CONFORMATION; FORCE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; SIMULATION; THEORY;

CARBOHYDRATE CONFORMATION; MAGNETIC RESONANCE SPECTROSCOPY; MECHANICS; OLIGOSACCHARIDES;

EID: 0037436001     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0008-6215(02)00503-7     Document Type: Conference Paper

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