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
Editorials
Ten Simple Rules on How to Organize a Scientific Retreat
PLOS Computational Biology: published February 2, 2017 | https://doi.org/10.1371/journal.pcbi.1005344
Ten Simple Rules for Developing a Successful Research Proposal in Brazil
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On the stability and dynamics of stochastic spiking neuron models: Nonlinear Hawkes process and point process GLMs
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A mathematical model of calcium dynamics in HSY cells
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Co-emergence of multi-scale cortical activities of irregular firing, oscillations and avalanches achieves cost-efficient information capacity
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Computational identification of the selenocysteine tRNA (tRNASec) in genomes
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Spatial separation of two different pathways accounting for the generation of calcium signals in astrocytes
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