Figure 7.

Molecular interactions of D2AAK1_3 with human dopamine D₂ receptor during 100 ns molecular dynamics simulations. (A) histogram of interactions. The stacked bar charts are normalized over the course of the trajectory: For example, a value of 0.7 suggests that 70% of the simulation time the specific interaction is maintained. Values over 1.0 are possible as some protein residue may make multiple contacts of same subtype with the ligand. (B) summary of contacts. Interactions that occur more than 30.0% of the simulation time in the selected trajectory (0.00 through 100.00 ns), are shown.