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Activation of kinase by phosphorylation
Kinase activity is frequently regulated by phosphorylation. Enhanced sampling molecular dynamics (MD) methods are used to find structural changes of a specific kinase on phosphorylation of its activation loop. Experimental methods do not currently probe completely the conformational space accessible to the activation loop. MD simulation can then complement and extend hypothesis of the mechanisms of kinase activation based on crystallographic and other methods. The results of this study identify a novel role for specific residues in accelerating phosphotransfer. Karp et al.
Image Credit: Jerome M. Karp