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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Xiaoyun Wu

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Jul 2026

Molecular modeling study on the binding mechanisms of third-generation EGFR inhibitor Lazertinib.

A molecular modeling study integrating molecular dynamics and free energy calculation was conducted to comprehend the distinct binding manner of Lazertinib binding to EGFR and the structural need for the inhibitory activity, and confirms that Lazertinib preferentially binds to EGFRT790M with the same conformation as in EGFRWT.

Yong-Bo Wei, Huan He, Xiao-Yun Wu · 1 citation

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