Subject: MD after Autodock

From: sa.cosco^at^virgilio.it
Date: Tue, 13 Jan 2004 13:20:32 +0100

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