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. Author manuscript; available in PMC: 2009 May 1.
Published in final edited form as: J Comput Aided Mol Des. 2009 Jan 16;23(5):273–288. doi: 10.1007/s10822-008-9257-9

Fig. 4.

Fig. 4

ROC plot comparing VLS results on the 14K test set for the PDB-based β2AR model, carazolol-refined antagonist bound model, and 1 Å shifted agonist bound receptor model. For each of the three receptor conformations, results are indicated separately for the retrieval of agonist and antagonist ligands