In the previous sections, we evaluated the accuracy of dissociation time estimated by CF-SMD simulations as compared with an equilibrium MD simulation or an experimental value, and we observed reasonable accuracy-error factors (Tables , and 3). Additionally, we evaluated the computational time of the CF-SMD simulation, which is crucial for the high-throughput evaluation of dissociation rates. We defined the computational time as the accumulated time 𝑡 8+8 9:; of the CF-SMD simulations, e.g., 10 CF-SMD simulations, each of which is up to 1 ns, yielded a computational time of 10 ns (= 10 × 1 ns).