Estradiol (agonist), tamoxifen (antagonist), and diethylstilbestrol (agonist) shown below all bind to the human estrogen receptor.  The images below show the electrostatic potential surfaces from quantum mechanical computations.  This type of information is valuable for constructing pharmacophore models.  Chemical Simulations Group (CSG) has the expertise to perform such analyses to guide pharmacophore design, lead optimization, and the characterization of protein-ligand interactions.  CSG will also work with you to leverage the power of today's GNU/Linux clusters to perform such computations in volume.

Estradiol (agonist)

Tamoxifen (antagonist)

Diethylstilbestrol (agonist)