Figures
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
Citation: (2017) PLoS Computational Biology Issue Image | Vol. 13(2) February 2017. PLoS Comput Biol 13(2): ev13.i02. https://doi.org/10.1371/image.pcbi.v13.i02
Published: February 28, 2017
Copyright: © 2017 Karp. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
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