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Molecular docking of gomisin G into the activity cavity of CYP3A4. The crystal structure of CYP3A4 with ketoconazole in the activity cavity (PDB code 2V0M) was selected from protein data bank (http://www.rcsb.org/pdb). The structure of ketoconazole was firstly extracted from the cavity of CYP3A4 before the docking of gomisin G into the activity cavity.
