AI-assisted molecular docking and molecular dynamics simulations for predicting off-target effects of AKT1 ATP-competitive inhibitors
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AKT1 is a member of the AGC kinase family and represents a key therapeutic target in cancer. Although ATP-competitive compounds can act as potent inhibitors of AKT1, they may also exhibit off-target interactions with other kinases in the PI3K/AKT/mTOR pathway,... ...
