AMBER: MD simulations on heparin and heparin sulfate

From: Harald Lanig <Harald.Lanig.chemie.uni-erlangen.de>
Date: Thu, 30 Dec 2004 17:23:24 +0100

Dear Amber community,

I am interested in performing MD simulations on heparin and heparin
sulfate. Is anybody willing to share experiences about simulating
(especially these types of) polysaccharides with AMBER? Are there
existing templates for the heparin building blocks?

Any help to enter this new topic (up to now I have been doing protein
simulations only) is highly appreciated!

Thanks in advance and a Happy New Year!
-Harald Lanig 

-- 
------------------------------------------------------------------------
  Dr. Harald Lanig            Universitaet Erlangen/Nuernberg
  Computer-Chemie-Centrum     Naegelsbachstr. 25, D-91052 Erlangen
  Phone +49(0)9131-85 26525   email: lanig AT chemie.uni-erlangen.de
  Fax   +49(0)9131-85 26565   http://www.ccc.uni-erlangen.de/lanig
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Received on Thu Dec 30 2004 - 16:53:00 PST
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