Article
How does conformational flexibility influence key structural features involved in activation of anaplastic lymphoma kinase?
Molecular bioSystems - 1 Jun 2014
Karabencheva Tatyana G, Lee Christian C, Black Gary W, Donev Rossen, Christov Christo Z
Abstract excerpt
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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