From mikha001@maroon.tc.umn.edu Fri Oct 17 17:31:20 1997 Received: from mhub2.tc.umn.edu for mikha001@maroon.tc.umn.edu by www.ccl.net (8.8.3/950822.1) id RAA02244; Fri, 17 Oct 1997 17:28:38 -0400 (EDT) Received: from maroon.tc.umn.edu by mhub2.tc.umn.edu; Fri, 17 Oct 97 16:28:27 -0500 Received: from localhost by maroon.tc.umn.edu; Fri, 17 Oct 97 16:28:27 -0500 Date: Fri, 17 Oct 1997 16:28:26 -0500 (CDT) From: Dmitri V Mikhailov To: CHEMISTRY@www.ccl.net Subject: surface docking Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII 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 ***************************************************** 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: mikha001@maroon.tc.umn.edu WWW : http://tyr.med.umn.edu/~dimitri/ *****************************************************