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Updated: May 1, 2026

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
Published on: May 20, 2020
How does conformational flexibility influence key structural features involved in activation of anaplastic lymphoma
Tatyana G Karabencheva1, Christian C Lee, Gary W Black
1Department of Applied Sciences, Faculty of Health and Life Sciences, Northumbria University, Newcastle upon Tyne, NE1 8ST, UK. christo.christov@northumbria.ac.uk tatyana.karabencheva-christova@northumbria.ac.uk.
Abstract:
Anaplastic Lymphoma Kinase (ALK) plays a major role in developing tumor processes and therefore has emerged as a validated therapeutic target. Applying atomistic molecular dynamics simulations on the wild type enzyme and the nine most frequently occurring and clinically important activation mutants we revealed important conformational effects on key interactions responsible for the activation of the enzyme.
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