ADL: regardin docking

Steven Platt Steven.Platt at hpa.org.uk
Fri Jan 16 05:32:46 PST 2009


If you're talking about docking small molecules then YES you certainly
can dock multimeric molecules. I've gone up to pentameric carbohydrates
and I think others have done more. Dimeric+ ligands are treated in the
same way as monomers, just make sure that any inter-subunit bonds are
rotatable (if necessary).
The only real limit is the number of rotatable bonds allowed in the
ligand specification. If this is a problem, a search of the mailing list
archives will show you that several people have provided solutions.

Hope this helps

Steve

Dr Steven Platt
Bioinformatics Support Coordinator
Statistics, Modelling and Bioinformatics
Health Protection Agency
UK
www.hpa.org.uk/bioinformatics 
-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu]
On Behalf Of ishwar chandra
Sent: 16 January 2009 07:37
To: autodock at scripps.edu
Subject: ADL: regardin docking

pls. tell me in autodock we can dock only monomer
not adimer trimer or tetramer.
[plsreply if someone knows thank you

Ishwar
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