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Membrane binding of small drug-like molecules. A. Comparison of experimental and calculated transfer energies of small molecules from water to DOPC bilayer (data from Table S5; R2=0.65). B. Membrane-bound poses of small-molecules: 1: 3-methylindole; 2: N-methylindole; 3: indole; 4: imipramine; 5: nicotine; 6: caffeine. The hydrophobic boundary of the lipid bilayer (corresponding to location of lipid carbonyl groups) is shown by blue dots.
