Ghaemi, Zhaleh Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations. [electronic resource] - Journal of chemical theory and computation Aug 2016 - 4093-9 p. digital Publication Type: Journal Article ISSN: 1549-9626 Standard No.: 10.1021/acs.jctc.5b01126 doi Subjects--Topical Terms: AlkynesBenzoxazines--chemistryCaco-2 CellsCell Membrane Permeability--physiologyCyclopropanesHumansHydrophobic and Hydrophilic InteractionsLipid Bilayers--chemistryModels, BiologicalNitrilesPharmaceutical Preparations--chemistryPyridazines--chemistryPyrimidinesThermodynamics