Figure 6.

Mobility of NR3A glycine and ACPC complexes from replica exchange MD simulations. (A) Plot of the Cα-RMSF by residue for concatenations of all replica exchange trajectories in the glycine-bound (black) and ACPC-bound (red) states. Two regions showing notable differences between the states are labelled. (B) Average conformations for the top three clusters in glycine- (B) and ACPC- (C) bound replica exchange simulations illustrating the range of motion of the A′ helix. Colouring runs from blue to red for clusters 1–3. D1 is shown in grey and D2 in light blue.