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3D dot plot-visualization for the compounds reported in Table 1. The distribution of the cluster formation is based on the energy function, equilibrium constant, and hydrophobicity.
Notes: SMHP = (Sburied − SH/H)/(Stotal), where SH/H is the hydrophilic match surface, Sburied is the contact (hydrophobic) surface, and Stotal is the total ligand surface.
Abbreviations: ΔG, Gibbs free energy of binding; DA, dopamine; Kc, predicted equilibrium constant; L-DOPA, levodopa.
