surface docking

From: Dmitri V Mikhailov <mikha001 -x- at -x- maroon.tc.umn.edu>
Subject: surface docking
Date: Fri, 17 Oct 1997 16:28:26 -0500 (CDT)

 Hello netters,
 I am trying to do MM calculations for interactions between a protein and
 a surface. I would like to construct different atomic level models for the
 surface and "dock" a protein to them. Could anyone point me to a
 reference
 in a literature or existing software that could handle such a relatively
 big system (~40000 atoms) and estimate the "most favorable" position
 of a
 protein on atomic surfaces. I am quite new to this area of surface
 simulations, so any advise will be greatly appreciated. Thank you.
 Regards,
 Dmitri Mikhailov
 Ph.D. student
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 Univ. of Minnesota Medical School
 Department of Biochemistry
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 tel. (612) 625-8611
 fax. (612) 624-5121
 e-mail: mikha001 -x- at -x- maroon.tc.umn.edu
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