Conformational properties of acidic oligo- and disaccharides and their ability to bind calcium: A molecular modeling study

Carbohydrate Research

Volumn 357, Issue , 2012, Pages 111-117

  Plazinski, Wojciech ^a  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

Alginate; Conformation; Guluronate; Mannuronate; Molecular dynamics

Indexed keywords

ALGINIC ACID; BIO-MOLECULAR; CALCIUM IONS; CARBOXYL GROUPS; CONFORMATIONAL ANALYSIS; CONFORMATIONAL FLEXIBILITY; CONFORMATIONAL PROPERTIES; CONFORMATIONAL SEARCH; EXPLICIT SOLVENTS; FORCE FIELDS; GLYCOSIDIC BOND; GULURONATE; IONIC ENVIRONMENT; MANNURONATE; MOLECULAR MODELING STUDIES; SEMI-EMPIRICAL; SIMILAR DEGREE;

ALGINATE; CONFORMATIONS; HYDROGEN BONDS; OLIGOSACCHARIDES;

MOLECULAR DYNAMICS;

ALGINIC ACID; DISACCHARIDE; OLIGOSACCHARIDE;

ARTICLE; BINDING AFFINITY; CALCIUM BINDING; CALCULATION; CARBOHYDRATE ANALYSIS; CONCENTRATION (PARAMETERS); CONFORMATION; EMPIRICISM; HYDROGEN BOND; IONIC STRENGTH; MOLECULAR DYNAMICS; MOLECULAR MODEL; PH; PRIORITY JOURNAL;

CALCIUM; CARBOHYDRATE CONFORMATION; COORDINATION COMPLEXES; DISACCHARIDES; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; MOLECULAR DYNAMICS SIMULATION; OLIGOSACCHARIDES; THERMODYNAMICS;

EID: 84863727777     PISSN: 00086215     EISSN: 1873426X     Source Type: Journal    
DOI: 10.1016/j.carres.2012.04.021     Document Type: Article

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