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May 18, 2011 at 3:06 pm
#5594
Anonymous
Ligand docking can be used to predict WHERE a phosphate might bind. I don’t think Rosetta is sufficiently calibrated to give you a good estimate of binding affinity.
http://www.rosettacommons.org/manuals/archive/rosetta3.2.1_user_guide/app_ligand_dock.html
Phosphate binding is going to be an extremely challenging prediction because it is all polar/h-bond interactions.