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Article ID: 1015 - Last Modified:

What are the units of Emodel and GlideScore?

The units of GlideScore are kcal/mol. Both SP and XP GlideScore have been calibrated to reproduce certain experimental binding affinities. The individual terms (Emodel, Ecoul, and so on) in the GlideScore formula are parametrized in this calibration: these terms should therefore not be interpreted as quantitative calculations of energies.

Keywords: Glide, units

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