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. Author manuscript; available in PMC: 2009 Jul 1.
Published in final edited form as: Structure. 2008 Jul;16(7):1010–1018. doi: 10.1016/j.str.2008.03.013

Figure 4. The all-atom DMD simulation of the WW domain.

Figure 4

(A) The specific heat computed from simulations exhibits a sharp peak at T~350K. The contour plot of the 2D-PMF at T=348K is plotted as the function of (B) Q and Rg, and of (C) potential energy and RMSD. (D) The 1D-PMF at different temperatures (325K, 350K, and 360K) are shown as the function of RMSD.