[gmx-users] binding affinity

[leila karami]

Hi

I want to compare DNA-binding affinity of PRH protein by mutation of some
aminoacids.

I think KD (dissociation constant) is related to binding affinity.

I dont know how do I obtain KD (dissociation constant) by MD simulation and
gromacs (what command).

If there is another way, please guide me.

Any help will highly appreciated!
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