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. 2022 Oct 12;126(41):8188–8201. doi: 10.1021/acs.jpcb.2c05497

Table 1. Ratios of Successful Substrate Binding Events with Different Simulation Schemes and Different Criteria for Substrate Binding.

simulation scheme successful ratio (R, θ criteria) successful ratio (Q-score criteria)
open–closed cycle 24/60 23/60
closed 0/20 0/20