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. Author manuscript; available in PMC: 2014 Apr 9.
Published in final edited form as: J Chem Theory Comput. 2013 Aug 2;9(9):4140–4154. doi: 10.1021/ct400469w

Figure 8. Minimum free-energy profile and per-atom decomposition for the isomerization of the alanine dipeptide, using a string with reduced dimensionality.

Figure 8

The coloring scheme is the same as in Fig. 4B. The first image corresponds to the C7eq state and the last one corresponds to the C7ax state. For comparison, the free-energy profile obtained with the high-dimensional string (Fig. 4B) is shown in grey.