AMBER: Simulating complexes with magnesium atoms

From: Sasha Buzko <obuzko.ucla.edu>
Date: Tue, 10 Jun 2008 14:32:13 -0700

Hi all,
We have a need to include a coordinated magnesium atom in a protein
kinase-ATP complex. I've seen some posts on the subject in the past, but
I wonder what is the currently recommended approach to this issue? Have
there been any changes/additions to the force fields lately?
Thanks for any suggestions.

Cheers

Sasha


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Received on Wed Jun 11 2008 - 06:07:55 PDT
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