Have you tried pisa (www.ebi.ac.uk/msd - choose msdpisa
You can download coordinates and it does various calculations to
estimate binding energies.
Eleanor
Xu TAN wrote:
> Hi, all
>
> Does anybody have experience with binding energy calculation of
> ligand-protein
> interaction? What are the good programs out there ? I am aware of
> several such
> as AutoDock, Dock, Tinker, but they seem to be made for docking, I am
> looking for
> easy-to-get-easy-to-use binding energy/contact area calculator.
>
> Thanks for all you input !
>
> Xu Tan
>
> University of Washington, Seattle
>
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