It would be useful to compile some true apo kinase structures (without ligand, or with nucleotide or nucleotide analog) for comparison to the pseudo-apo structures created by removing the inhibitor.
If that isn't possible, we can simply compare variability of MCCE predictions for the same pseudo-apo kinase across different structures.
It would be useful to compile some true apo kinase structures (without ligand, or with nucleotide or nucleotide analog) for comparison to the pseudo-apo structures created by removing the inhibitor.
If that isn't possible, we can simply compare variability of MCCE predictions for the same pseudo-apo kinase across different structures.