Dear community,
My lab is developing a procedure for computing Kd based on PDB files.
You all know that predicting Kd accurately based on PDB coordinates
is not a solved problem, but we are trying to get better.
We have established a server that takes PDB files (preferably without
unusual ligands, waters or hydrogens) and estimates dG and Kd.
Feel free to give it a try.
Direct server link:
http://128.112.161.63:81/
Permanent link in case the server location changes (link at the top of
the page)
http://biochemlabsolutions.com/FASTAandPDB.html
Best,
Alexei.