FIG. 7.

Cavity-ligand model. (a) Unbinding rates from InfrMetaD increase exponentially with pulling forces. Fit parameters to Bell’s law are k⁰ = 0.0011 s⁻¹ and Δx^‡ = 6.31 Å (R² = 0.96). (b) The rate decreases exponentially with the barrier height computed from WTMetaD projected along the Z-distance using Eq. (6). (c) The distance to the transition state in the Z direction decreases slightly but is relatively constant compared to the two well potential results in Fig. 2(c). (d) The free energy barrier in the Z direction decreases linearly with force.