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. Author manuscript; available in PMC: 2016 Mar 23.
Published in final edited form as: J Mol Biol. 2006 May 15;360(5):1094–1107. doi: 10.1016/j.jmb.2006.04.070

Figure 2.

Figure 2

Free energy landscapes of three fragments at 300K from REMD explicit water simulations. (A) Rg vs RMSD (backbone 43 – 49) to the native HP36 structure for HP-1 (B) Rg vs RMSD (backbone 54–59) to the native HP36 for HP-2 (C) Rg vs. RMSD (backbone 64–70) to the native HP36 for HP-3. While all three fragments remain compact as in HP36, only HP-1 has a free energy minimum located at a low RMSD. The other two fragments occupy minima with higher RMSDs and more broad minima than HP-1.