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 go
Hey Jeremy,
I havent used this myself, but I believe APBS can do it. You can do it on
their server or locally after downloading the program.
Arti Pandey
> Hi, all
>
> Does anybody have experience with binding energy calculation of
> ligand-protein
> interaction? What are the good programs o
When you say you want an easy-to-get-easy-to-use binding energy/contact
area calculator I assume you mean a simple scoring function.
I have suggested that such functions cannot achieve reliable, accurate
general
affinity estimation (pdfs sent separately), and so far this seems to
be borne out (s
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
