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. Author manuscript; available in PMC: 2011 Aug 1.
Published in final edited form as: Bioorg Med Chem. 2010 Jun 20;18(15):5562–5575. doi: 10.1016/j.bmc.2010.06.043

Table 3.

R2 values for compoundsa docked with various models

Model/scoring r2 r2
HAdrb2_ICM/ICM 0.043b 0.747c
HAdrb2_MODELLER/GLIDE 0.357b 0.012c
BRho_MODELLER/GLIDE 0.576b 0.106c
HAdrb2_MODELLER/GOLD 0.201b 0.928c
BRho_MODELLER/GOLD 0.039b 0.381c
a

C1 analogs;

b

nantenine and 11a-11f;

c

11a-11e only