GROMOS96 43a1 performance in predicting oligosaccharide conformational ensembles within glycoproteins

Carbohydrate Research

Volumn 345, Issue 5, 2010, Pages 663-671

  Fernandes, C L ^a   Sachett, L G ^a   Pol Fachin, L ^a   Verli, H ^a  

^a FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

Carbohydrates; Glycoproteins; Glycosidic linkage; GROMOS96; Molecular dynamics

Indexed keywords

3D STRUCTURE; AQUEOUS SOLUTIONS; ATOMIC CHARGE; CONFORMATIONAL BEHAVIOR; CONFORMATIONAL ENSEMBLE; ENERGY CONTOURS; FORCE FIELDS; GLYCOSIDIC LINKAGES; GLYCOSYLATED; GROMOS96; HF/6-31G; SOLUTION CONFORMATIONS;

CARBOHYDRATES; CONFORMATIONS; MOLECULAR DYNAMICS; PROTEINS; THREE DIMENSIONAL;

GLYCOPROTEINS;

DISACCHARIDE; GLYCOPROTEIN; LINK PROTEIN; OLIGOSACCHARIDE; SCAFFOLD PROTEIN;

ARTICLE; CARBOHYDRATE ANALYSIS; FORCE; PREDICTION; PRIORITY JOURNAL; PROPORTIONAL HAZARDS MODEL; PROTEIN CONFORMATION; PROTEIN MODIFICATION; PROTEIN STRUCTURE;

ANIMALS; ANTIGENS, CD2; ANTIGENS, CD59; CARBOHYDRATE SEQUENCE; CHORIONIC GONADOTROPIN; COMPUTER SIMULATION; DISACCHARIDES; GLYCOPROTEINS; HUMANS; MAGNETIC RESONANCE SPECTROSCOPY; MICE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; OLIGOSACCHARIDES; POLYSACCHARIDES; PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; THERMODYNAMICS;

EID: 77649139312     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2009.12.018     Document Type: Article

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