ADL: value of inhibition constant ki.

Diogo Martins diogo.stmart at
Thu Jul 21 05:13:32 PDT 2016


AutoDock Vina gives you the free energy of binding (delta G), not binding
affinity. It's good to keep in mind that in the real world delta G is
temperature dependent. Somewhere in the Autodock's FAQ there is a very
powerful equation to convert delta G to inhibition/dissociation constants.
However, powerful equations should be used carefully: converting delta G's
to IC50's is a dangerous business because IC50's depend strongly on the
experimental setup.

On 21 July 2016 at 06:10, neelam wafa <neelam.wafa at> wrote:

> aoa,  i have run autodock vina on my files but it gives only the value of
> binding afinity. i need the value of  ki and IC 50. how can i get these
> values using vina?
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