Subject: docking strategy

From: Dmitri V Mikhailov <[email-masked]>
Date: Thu, 3 Oct 1996 13:11:04 -0500 (CDT)

Greetings everyone,
We are trying to do docking analysis for a system composed of a
negatively charged ligand and a basic protein. We are using the
Affinity module from MSI which allows flexible docking.
Could someone please point out reference(s) on general strategies 
how to incorporate explicit solvent molecules in such a system and
analyze binding energies for different ligand conformations.
Thank you.
Regards,

Dmitri Mikhailov
Ph.D. student
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Univ. of Minnesota Medical School
Department of Biochemistry
Box 609, 420 Delaware St. SE
Minneapolis MN 55455

tel. (612) 624-7107
fax. (612) 626-2325
e-mail: [email-masked]
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