Our molecular dynamics simulation results show that the temperature of the drug-protein complex increases over time and reaches a plateau at around 310 K after about 50 ps (Figure ). This suggests that the drug-protein complex is not stable in its current configuration and that the drug molecule may dissociate from the protein over time. The protein may also unfold. The drug-protein complex dissociates/unfolds relatively quickly and reaches a new equilibrium state, one that is more energetic than the initial state. These results suggest that the drug-protein complex could be destabilized by designing new drugs that have a stronger binding interaction with the protein target.