A.Structure-Based Drug Design

1.Inhibitors of dimerization of  ErbB tyrosine kinase transmembrane receptors – These receptors are overexpressed in many cancers and are a useful therapeutic target in oncology.

2.Steric discrimination between acetylcholine, the substrate, and organophosphates that inhibit acetylcholine esterase and serve as neurotoxins.

3.Allosteric activators of the enzyme ACE2 for treatment of cardiovascular disease.

4.Inhibitors of two-component systems that regulate virulence in pathogenic bacteria.

B.Virtual Screening of Compound Libraries

1.Improvements to systematic search of possible ligand docking.

2.Affinity prediction based on experimental determination of ΔH and ΔS of binding.

C.Protein engineering

1.Helical peptidomimetics

2.β-Hairpin scaffolds

D.Experimental Biophysics

1.Amide nitroxides and EPR

2.Transfer NOE and receptor-bound conformations