Dear Amber community,
We are interested in obtaining the interaction free energy between a
polycyclic aromatic moiety, covalently linked to a DNA base in a DNA duplex,
and the DNA. This would be similar to obtaining the interaction free energy
between a non-covalently bound ligand and the DNA except that we have a
covalent linkage. We would appreciate suggestions on how best to do this.
Many thanks,
Yuqin
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Received on Fri May 28 2010 - 12:00:03 PDT
