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. Author manuscript; available in PMC: 2014 Jun 24.
Published in final edited form as: J Chem Inf Model. 2013 May 21;53(6):1337–1349. doi: 10.1021/ci400160x

Table 1.

Ligand efficacy scores, Efflig, calculated from free energy surfaces that represent the conformational sampling of mGluR1 and mGluR5 with various ligands (Figure 5, Figure 6 & Figure 7) using Eqn 3

Ligand Efficacy
mGluR1 mGluR5
Agonists
Glu 1 1
DHPG 0.51 0.46
Z-CBQA 0.61
Antagonists
ACPT-II 0.11 -
C3H2MPG(1) 0.59 0.92
C3H2MPG(2) 0.05 0.16
HOMQ 0.30 0.13
C3HPG(1) 1 0.7
C3HPG(2) 0.25 0.01