Theoretical simulation of temperature-scanning profiles for protein heat-cold denaturation including slow folding-unfolding kinetics.

<p>a) Folding-unfolding energetics used in the simulation (see <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0023050#s3" target="_blank">Materials and Methods</a> for details). Profiles of unfolding free energy and unfolding enthalpy versus temperature are shown. b) Plots of fraction of native protein versus temperature for several values of the temperature scanning-rate. c) Simulated scanning calorimetry profiles at the indicated scan rates. The equilibrium profile (formally corresponding to the limit of zero scan rate) is labeled EQ. Vertical dashed lines crossing the three panels indicate the values of the equilibrium heat- and cold-denaturation temperatures at the enthalpy inversion temperature.