Quantitative correlation between experimental data and induced fit models of MDMA metabolites with the hSERT Indeed there was a clear trend of the Coulombic and vdW terms towards partially explaining the efficacy of tritiated neurotransmitter release in rat brain slices ( Johnson et al., 1986 ).
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Induced fit, ensemble binding space docking and Monte Carlo simulations of MDMA 'ecstasy' and 3D pharmacophore design of MDMA derivatives on the human serotonin transporter (hSERT).
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