Analysis of the Free-Energy Surface of Proteins from Reversible Folding Simulations
Figure 12
Results of detailed analysis of equilibrium simulation of model B.
(A) the simplified equilibrium kinetic network (SEKN) shows three states, native, intermediate and denatured state. Folding occurs mainly through the pathway . Rates of exchanges between states are shown in µs−1. (B) unprojected free energy (FEP) landscape. (C) FEP of each basin as a function of RMSD.