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. 2020 Jun 2;124(26):5338–5349. doi: 10.1021/acs.jpcb.0c02009

Figure 2.

Figure 2

Top panel: Dependence of the force acting on the ligand on displacement (left) and time (right). Rupture force Fmax occurs at time tmax. Bottom panel: Displacement dependence of Jarzynski’s binding free energy, showing that the ligand binding/unbinding is a barrier crossing event with the unbinding barrier ΔGunbind and the binding barrier ΔGbind.