An atomic and molecular view of the depth dependence of the free energies of solute transfer from water into lipid bilayers

Molecular Pharmaceutics

Volumn 8, Issue 6, 2011, Pages 2204-2215

  Tejwani, Ravindra W ^a   Davis, Malcolm E ^b   Anderson, Bradley D ^a   Stouch, Terry R ^c  

^a University of Kentucky   (United States)

^b BRISTOL MYERS SQUIBB   (United States)

^c Science for Solutions   (United States)

Author keywords

bilayer; drugs; membrane; molecular dynamics; partitioning; permeation; simulation; transport

Indexed keywords

4 ETHYLPHENOL; DIOLEOYLPHOSPHATIDYLCHOLINE; PHENETHYLAMINE; TYRAMINE;

ARTICLE; DRUG BINDING SITE; DRUG PENETRATION; DRUG STRUCTURE; ENERGY EXPENDITURE; ENERGY TRANSFER; HYDROGEN BOND; HYDROPHOBICITY; LIPID BILAYER; MEMBRANE TRANSPORT; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; SIMULATION; SOLUTE; STRUCTURE ANALYSIS;

HYDROGEN BONDING; LIPID BILAYERS; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS; WATER;

EID: 82955229586     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp2000204     Document Type: Article

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