Computational Study of Synthetic Agonist Ligands of Ionotropic Glutamate Receptors
Figure 9
Comparison of the time evolution of the interdomain angle (black) and main collective variable CV1 (red) over the course of a 500 ns length Metadynamics simulation.
Both geometric parameters show very similar trends, indicating that the choice of CV for Metadynamics yields a meaningful exploration for functional interdomain motions.