I have the occupancy value (Binding area value of my protein docked with my ligands).
Can I predict the IC 50 value?
I have question??
how to find binding area volume for docked complex??
Dear Akhil,
I found the binding area volume of docked complex in Maestro Schrodinger using Surface options which will take 4A residues from ur ligand.
So any suggestions about predicting IC50 value Neeraj??
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