Subject: surface docking

From: Dmitri V Mikhailov <[email-masked]>
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
312 Church St, BSBE 5-258
Minneapolis MN 55455

tel. (612) 625-8611
fax. (612) 624-5121
e-mail: [email-masked]
WWW   : http://tyr.med.umn.edu/~dimitri/
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