Is it possible to calculate the binding constant (K) using some of the energies resulting from the Glide docking process?

The primary focus of Glide is docking accuracy and database enrichment. It is not intended for predicting binding energies or for rank ordering. The GlideScore is roughly a binding energy in kcal/mol, which you could convert to an equilibrium constant. However, the accuracy of the binding energy is probably not better than 3 kcal/mol.

Keywords: binding affinity, GlideScore

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