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. Author manuscript; available in PMC: 2014 Apr 24.
Published in final edited form as: J Chem Theory Comput. 2011 Sep 27;7(11):3608–3619. doi: 10.1021/ct200389p

Figure 9.

Figure 9

Average unsigned relative errors in the numerical SES areas after the global correction and without correction versus the backbone root-mean-square deviation (RMSD) for two tested peptides. Each data point represents the average unsigned relative error in the numerical surface areas for structures with the backbone RMSD within a range of 1Å with respect to the crystal structure. Top: hairpin; Bottom: helix. (grid spacing: 1/2Å)