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
