[gmx-users] binding affinity

leila karami karami.leila1 at gmail.com
Tue Jan 12 12:10:36 CET 2010


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

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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