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Figure 1.
11 estrogen receptor alpha (ER£\) antagonists. Four protein-ligand complexes (the first row) taken from PDB were used to evaluate the accuracy of molecular docking and each ligand systematically using four characters followed by three characters (e.g. 3ert.OHT, "3ert" denotes the PDB code and "OHT" is the ligand name in PDB). Except the 1uom.PTI, the other 10 antagonists were used as active compounds in evaluating the screening accuracy.
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