Figure 10.

Computed electrostatic potentials and ‘Point field’ representation of hSERT active compounds. (A) Positive electrostatic fields of each compound with the relative position of the residues with which they form Hbonds according to their alignment to the designed pharmacophore. (B) ‘Field points’ of each molecule in A representing the maxima and minima of steric and electrostatic potentials. The distances between the +ve ‘Field points’ of their ammonium moieties illustrate their ability to form each Hbond (in green arrows).