Dear Amber users,
I want to calculate free energy of binding between DNA and ligand. But ligand forms covalent bond with DNA. Here I am giving general equation of my system (DNA and ligand) forming covalent bond complex.
(DNA)G-NH2 + R-C=N-R1 (ligand) ----->
G-NH-CRH-NH-R1 (complex)
My question is how to calculate free energy of complex?
Any suggestion is appreciated
With best regards,
Nagaraja Mulpuri.
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Received on Wed Aug 22 2007 - 06:07:31 PDT
