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. Author manuscript; available in PMC: 2014 Dec 27.
Published in final edited form as: J Phys Chem B. 2013 Dec 13;117(51):16428–16435. doi: 10.1021/jp409693p

Figure 2.

Figure 2

A free energy cycle that could be used to compute the change (ΔΔG) in solvation energy between a peptide of length N and one of length N − 1. A blue background indicates that a molecule is in explicit solvent, while a white background indicates that it is in vacuum. The large circles represent the first N − 1 residues of an alanine peptide, the small circles represent the cap on the peptide of length N − 1, and the medium-sized circle represents the N’th residue of the peptide of length N. A black circle means that the atoms in question are charged, and a white circle means that they are uncharged.