Single-Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition
Figure 9
The simulation temperature Ts = 0.944, and melting temperature Tf = 1.0. The Tf is defined from the peak of Cv, and Ts is determined from two-dimensional free-energy profile F(Qf2,Qb). The simulation temperature was chosen so that the free-energy values at the loosely bound and bound states are equal.