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. Author manuscript; available in PMC: 2012 Apr 15.
Published in final edited form as: J Comput Chem. 2010 Oct 14;32(5):866–877. doi: 10.1002/jcc.21666

Figure 5.

Figure 5

The linear correlations coefficients between the experimental binding free energies and the predicted values given by (a) MM/GBSA using the GBHCT model and the solute dielectric constant of 2 based on the experimentally observed conformations, (b) MM/GBSA using the GBHCT model and the solute dielectric constant of 2 based on the best scored conformations, (c) MM/GBSA using the GBOBC1 model and the solute dielectric constant of 2 based on the experimentally observed conformations, (d) MM/GBSA using the GBOBC1 model and the solute dielectric constant of 2 based on the best scored conformations, (f) MM/PBSA using the solute dielectric constant of 2 based on the experimentally observed conformations, (g) MM/PBSA using the solute dielectric constant of 2 based on the best scored conformations.