Interaction of alginate single-chain polyguluronate segments with mono- and divalent metal cations: A comparative molecular dynamics study

Molecular Simulation

Volumn 36, Issue 10, 2010, Pages 778-795

  Perić Hassler, Lovorka ^a   Hünenberger, Philippe H ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

alginates; cation binding; computer simulation; molecular dynamics; polyguluronates

Indexed keywords

ANALYTICAL MODEL; AQUEOUS SOLUTIONS; BINDING EVENTS; CARBOXYLATE GROUPS; CATION BINDING; CATION INTERACTIONS; CHAIN CONFORMATIONS; CHARGE REVERSAL; CHLORIDE ANIONS; COUNTER-ION ATMOSPHERE; COUNTERIONS; DIVALENT METAL CATIONS; EXPERIMENTAL DATA; HELICAL CONFORMATION; INTRAMOLECULAR HYDROGEN BONDING; IONIC DENSITIES; METAL CATION; PERIODIC CHAINS; POLYGULURONATES; SOLVENT MOLECULAR;

ALGINATE; BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; CALCIUM; CARBOXYLATION; CHLORINE COMPOUNDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DYNAMICS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; SOLUTIONS;

POSITIVE IONS;

EID: 77958156850     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927021003752853     Document Type: Article

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