Thermodynamic aspects of calcium binding by poly(α-L-guluronate) chains. A molecular simulation study

Applied Surface Science

Volumn 262, Issue , 2012, Pages 153-155

  Plazinski, Wojciech ^a   Drach, Mateusz ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b UMC   (Poland)

Author keywords

Alginate; Calcium; Coordination number; Free energy; GROMOS; Molecular dynamics; Molecular modeling

Indexed keywords

ALGINATE; CALCIUM; CHAINS; FREE ENERGY; GIBBS FREE ENERGY; IONS; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULES;

COORDINATION NUMBER; EFFECTIVE COORDINATION NUMBERS; GROMOS; META-STABLE STATE; MOLECULAR SIMULATIONS; SOLVENT MOLECULES; THEORETICAL STUDY; THERMODYNAMIC ASPECTS;

BINDING ENERGY;

EID: 84869081990     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.03.151     Document Type: Article

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