Linked Life Data

18754634

Source:http://linkedlifedata.com/resource/pubmed/id/18754634

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
38
pubmed:dateCreated
2008-9-22
pubmed:abstractText
A new approach for the modeling of molecules in micellar systems and especially in biomembranes, COSMOmic, is presented, and its performance is validated on the example of the partitioning of molecules between water and biological membranes. Starting from quantum chemical calculations of the surfactant, solvent, and solute molecules, and being based on the COSMO-RS method for fluid-phase thermodynamic properties, COSMOmic is essentially free of additional adjustable parameters. The inclusion of an elastic energy correction into the COSMOmic model did not turn out to yield any significant improvement. The novel COSMOmic method allows for the efficient prediction of the distribution of molecules in micellar systems.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Sep
pubmed:issn
1520-6106
pubmed:author
pubmed:issnType
Print
pubmed:day
25
pubmed:volume
112
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
12148-57
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
COSMOmic: a mechanistic approach to the calculation of membrane-water partition coefficients and internal distributions within membranes and micelles.
pubmed:affiliation
COSMOlogic GmbH&COKG, Burscheider Strasse 515, 51381 Leverkusen, Germany. klamt@cosmologic.de
pubmed:publicationType
Journal Article