https://www.selleckchem.com/pr....oducts/ag-221-enasid
We present the new and entirely mechanistic COSMOperm method to predict passive membrane permeabilities for neutral compounds, as well as anions and cations. The COSMOperm approach is based on compound specific free energy profiles within a biomembrane of interest from COSMO-RS (Conductor-like Screening Model for Realistic Solvation) calculations. These are combined with membrane layer specific diffusion coefficients, for example, in the water phase, the polar head groups and the alkyl tails of biochemical phospholipid bilayer
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