Binding Energy for Crystallographic pose of the ligand

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Binding Energy for Crystallographic pose of the ligand

Postby oivalf_nix » Mon Dec 10, 2012 6:31 pm

Hi
I was wondering if it is possible for autodock calculate the binding energy and respective Ki for the crystallographic pose of the ligand, using Pyrx.
The comparison of those values will be interesting in redocking and docking studies.

Regards,

Flavio
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