CCL: Differences between soaking versus co-crystallization for protein-ligand complexes




CCL,

        Is anyone aware of any publications which describe differences between soaking versus co-crystallization
for protein-ligand structures?  For example, are there reports of significant differences in the ligand conformation?  Has
anyone analyzed possible differences in energetics of the bound ligand in a structure obtained from soaking versus co-
crystallization?  What are the differences in protein conformation in addition to space group and packing?

        Regards,
        Jim Metz

       

James T. Metz, Ph.D.
Research Investigator Chemist

GPRD R46Y AP10-2
Abbott Laboratories
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