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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 10.

Figure 10

Average unsigned relative errors in the numerical SAS areas after the global correction, without correction, and after molecule-specific corrections versus the backbone 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)