A process is provided for the high throughput screening of binding of
ligands to macromolecules using high resolution powder diffraction data
including producing a first sample slurry of a selected polycrystalline
macromolecule material and a solvent, producing a second sample slurry of
a selected polycrystalline macromolecule material, one or more ligands
and the solvent, obtaining a high resolution powder diffraction pattern
on each of said first sample slurry and the second sample slurry, and,
comparing the high resolution powder diffraction pattern of the first
sample slurry and the high resolution powder diffraction pattern of the
second sample slurry whereby a difference in the high resolution powder
diffraction patterns of the first sample slurry and the second sample
slurry provides a positive indication for the formation of a complex
between the selected polycrystalline macromolecule material and at least
one of the one or more ligands.