Prediction of micelle/water and liposome/water partition coefficients based on molecular dynamics simulations, COSMO-RS, and COSMOmic

Langmuir

Volumn 29, Issue 11, 2013, Pages 3527-3537

  Ingram, Thomas ^a   Storm, Sandra ^a   Kloss, Linda ^a   Mehling, Tanja ^a   Jakobtorweihen, Sven ^a   Smirnova, Irina ^a  

^a HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE; EXPERIMENTAL PARTITION COEFFICIENT; MOLECULAR DYNAMICS SIMULATIONS; QUANTITATIVE PREDICTION; ROOT-MEAN-SQUARE ERRORS; SOLVATION FREE ENERGIES; STRUCTURE AND DYNAMICS; SURFACTANT CONCENTRATIONS;

CELL MEMBRANES; CHOLESTEROL; DRUG DELIVERY; FREE ENERGY; LIPID BILAYERS; LIPOSOMES; MOLECULAR DYNAMICS;

MICELLES;

DODECYL SULFATE SODIUM; LIPOSOME; WATER;

ARTICLE; CHEMISTRY; CONFORMATION; MICELLE; MOLECULAR DYNAMICS; THERMODYNAMICS;

LIPOSOMES; MICELLES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SODIUM DODECYL SULFATE; THERMODYNAMICS; WATER;

EID: 84875312729     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la305035b     Document Type: Article

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