Comparison of the experimental and calculated binding free energies.

The ΔGexp shows the experimental free energies calculated from dissociation constants [8–10]. ΔAbind(mon) shows the binding free energy calculated from the tmon DF/HRE-MD simulations (20ns/replica).

ΔGexp 指代由解离常数计算得到的实验自由能[8–10]。ΔAbind(mon) 代表通过tmon DF/HRE-MD模拟（每个复本20纳秒）计算得到的单体结合自由能。