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. 2016 Jan 27;116(9):4983–5013. doi: 10.1021/acs.chemrev.5b00505

Table 2. Mean Value and Root-Mean-Square Fluctuation of Peptide Bond Dipole Moments (in D) in Different Secondary Structures from MD Simulations of Six Proteins Using the Drude-2013 and CHARMM36 Force Fields.

  peptide bonds in helices
peptide bonds in sheets
  mean fluctuation mean fluctuation
Drude-2013 4.74 0.31 5.14 0.30
CHARMM36 3.82 0.11 3.71 0.09