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HER3, a member of the human epidermal growth factor receptor family of receptor tyrosine kinases, is a pseudokinase that plays an important role in allosteric activation of other HER receptors. A gatekeeper mutation (T768I) of HER3 abrogates bosutinib binding to the ATP-binding site. This mechanism remains unresolved. Here, we performed molecular dynamic simulations and molecular mechanics/generalized...
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