Figure 5: Comparison of conformational state assignment for kinetic and functional coarse-grain models. | Nature Communications

Figure 5: Comparison of conformational state assignment for kinetic and functional coarse-grain models.

From: Allostery through the computational microscope: cAMP activation of a canonical signalling domain

Figure 5

Conformational state metastable states for the first/slowed motions in the kinetic coarse-grain Markov state model graph are coloured below according to macrostate membership (red, white). Functional coarse-grain models are coloured either white or maroon, depending on whether the state ‘would go’ to the active or inactive conformations, respectively.

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