Computer modeling study for intercalation of drug heparin into layered double hydroxide

Journal of Physical Chemistry C

Volumn 114, Issue 29, 2010, Pages 12618-12629

  Zhang, H ^a   Xu, Z P ^a   Lu, G Q ^a   Smith, S C ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMISTIC SIMULATIONS; COMPUTATIONAL MODELING; COMPUTER MODELING; CONDENSED PHASE; COUNTERIONS; EXPERIMENTAL CONDITIONS; EXPERIMENTAL DATA; EXPLICIT WATER; FORCE FIELDS; FUNCTIONALIZED; INTERCALATED SPECIES; INTERLAYER STRUCTURE; ISOLATED SYSTEMS; LAYERED DOUBLE HYDROXIDES; MD SIMULATION; MG-AL LAYERED DOUBLE HYDROXIDE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR POTENTIAL; ORGANIC-INORGANIC; POWDER X RAY DIFFRACTION; SELF-DIFFUSION COEFFICIENTS; WATER MOLECULE;

HOLOGRAPHIC INTERFEROMETRY; HYBRID SYSTEMS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; X RAY DIFFRACTION;

POLYSACCHARIDES;

EID: 77954895230     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp102724s     Document Type: Article

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