X-ray Structure Determination Software and Services

X-ray structure of proteins or protein-ligand complexes provides information that is valuable during several stages of the drug discovery process. Experimental characterization of the protein with X-ray crystallography is desirable during the target identification and validation stages. Increasingly, X-ray crystallography is being used to guide lead optimization by solving the X-ray structure of the complex of the target protein with selected hit compounds. Structural information from these studies facilitates further understanding of the interactions of small molecule ligands to the receptor protein as compared to the native ligand.

Related Product and Services

• QUANTA - a complete and rich graphical environment that can be used to build and optimize protein models and ligands into the experimentally determined electron density
• CNX - a x-ray crystallographic software program that can be used during all stages of structure determination—from phasing of X-ray diffraction data to structure refinement to structure deposition
• Contract Research and Scientific Consulting - can provide speedy and custom solutions to your specific x-ray structure determining needs