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Liver diseases, particularly non-alcoholic fatty liver disease (NAFLD) and metabolic dysfunction-associated steatotic liver disease (MASLD), have grown to be...

Using combined semiempirical quantum mechanical (QM)/molecular mechanical (MM) simulations, we investigated the reaction between afatinib, the first TCI drug for cancer treatment, and the front-pocket cysteine Cys797 in EGFR, which has been suggested as unreactive in a recent study