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Date: Fri, 02 Jun 2000 18:38:37 +0100
To: chemistry@ccl.net
From: "Miss L.M.P. Galvao" <l.galvao@ic.ac.uk>
Subject: Re: CCL:AUTODOCK 3.0
In-Reply-To: <Pine.sol.4.10.10006021440300.18460-100000@granby.ccc.notti
 ngham.ac.uk>
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Hi!

I am trying to dock a few furazan derivatives into the active site of
P450-BM3.

As a control I am using the natural enzyme subtrate palmitoleic acid and I
am  trying to reproduce its original location in the crystal structure
using autodock 3.0.3. 

I have tried only a genetic algorithm (LGA) and although I generated
solutions that 
closely resemble the position of the crystal structure, I have failed to
obtain a location idental to that of the crsytal structure.

Do you know how I could overcome this with a genetic algorithm?

Looking forward to hear from you.  

Leonor Galvao