[AMBER] mm-pbsa: self assembly

From: <vijayaraj.clri.res.in>
Date: Tue, 20 Apr 2010 17:15:42 +0530 (IST)

Dear amber users,

Is it possible to calculate the binding free energy for a oligomeric
system, which is a self assembly of monomeric units.
say, I have a monomer A, which forms a ordered structure by self assembling.
In this case, there is no ligand - receptor complex. Its just a
supramolecular assembly.
I would like to see how the binding energy various when we increase the
oligomerization.

Thanks in advance.

regards,
vijay


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Received on Tue Apr 20 2010 - 05:00:06 PDT
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