[gmx-users] how to obtain binding energy?

mohsen ramezanpour ramezanpour.mohsen at gmail.com
Tue May 17 15:13:17 CEST 2011

Dear Shahab

Yes,when you compute delta Gibbs energy of binding ,You can compute binding
constant(Kd or Ki)
by thermodynamics relations as Dr.Justin said.

I think both methods can be applied to any systems which you wish to have
its binding free energy.
(including protein-protein,protein-ligand ,protein-Nucleic Asids and
ligand-Nucleic asids)


On Tue, May 17, 2011 at 5:00 PM, shahab shariati
<shahab.shariati at gmail.com>wrote:

> Dear Justin
> thanks for your attention
>  *Do you mean binding constants?  *
> yes, I mean Ka or Kd.
> what about protein-dna complex? can I use PMF or TI for that to obtain
> binding free energy?
> best wishes
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