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The mean score, mean rank, and median rank of 15 EGFR inhibitors with the IDC of 1, 2, and 4, respectively, for 17 EGFR structures. The scores between 17 EGFR structures and 92 compounds including the 15 EGFR inhibitors are calculated using MM-PBSA with a 10-ns MD simulation for each EGFR-compound complex.
