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

From: [email-masked]
Date: Sat, 16 Nov 2002 19:52:17 -0600

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
100 Abbott Park Road
Abbott Park, IL  60064-6100
U.S.A.

Office (847) 936 - 0441
FAX    (847) 935 - 0548

[email-masked]