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. 2016 Apr 13;116(9):5301–5337. doi: 10.1021/acs.chemrev.5b00584

Table 3. Performance of Selected SE Methods for the Energies and Structures of Peptides in the Set Considered by Thiel and Co-Workers226a.

  AM1 OM2 DFTB2/mio
relative energies (kcal/mol) 2.0 1.7 1.1
backbone H-bond lengths (Å) 0.22 0.34 0.26
backbone dihedral angles (deg) 17 12 9
a

Presented are mean unsigned deviations from the respective references; data are taken from ref (33).