From jkl # - at - # ccl.net Tue Jan 13 07:21:19 2004 -0500
Return-Path: <sa.cosco^at^virgilio.it>
Date: Tue, 13 Jan 2004 13:20:32 +0100
Message-ID: <4002B18800001981^at^ims1b.cp.tin.it>
From: sa.cosco^at^virgilio.it
Subject: MD after Autodock     
To: chemistry^at^ccl.net

Dear CCL
I performed a partial flexible docking analysis of some ligands, using Autodock,
on a receptor modelled by means of homology building .The complexes obtained
were geometrically optimized and energetically minimized. Is it really necessary
to perform a MD simulation after the docking and the minimization? Any suggestion
will be appreciated
Best regards
Sandro