Conformation, dynamics and ion-binding properties of single-chain polyuronates: A molecular dynamics study

Molecular Simulation

Volumn 34, Issue 4, 2008, Pages 421-446

  Peric, Lovorka ^a   Pereira, Cristina S ^a   Perez, Serge ^b   Hunenberger, Philippe H ^a  

^a ETH ZURICH   (Switzerland)

^b CENTRE DE RECHERCHES SUR LES MACROMOLÉCULES VÉGÉTALES CERMAV CNRS   (France)

Author keywords

Computer simulation; Conformation; Ion binding; Molecular dynamics; Polyuronates

Indexed keywords

BINDING ENERGY; BINDING SITES; COLLOIDS; ELECTROLYSIS; GELATION; IONS; MODEL STRUCTURES; MOLECULAR DYNAMICS; OLIGOMERS; QUANTUM CHEMISTRY; SOLUTIONS; SPACE PROBES;

AQUEOUS SOLUTIONS; ARTIFICIAL PERIODICITY; CHAIN ASSOCIATION; COMPUTER SIMULATION; CONFORMATION; CONFORMATIONAL ENSEMBLES; COORDINATION SITES; COUNTER-ION ATMOSPHERE; COUNTER-IONS; EGG-BOX MODEL; ELEVATED TEMPERATURES; GLYCOSIDIC LINKAGES; HELICAL PARAMETERS; HELICAL STRUCTURES; ION BINDING; POLYURONATES; QUALITATIVE FEATURES; SINGLE CHAINS; SOLVENT MOLECULAR; STRUCTURAL MODEL; TIGHT-BINDING;

DYNAMICS;

EID: 46049091149     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020701759699     Document Type: Article

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