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. 2012 Jun 6;8(8):2896–2904. doi: 10.1021/ct300128x

Table 3. Comparison of α (degrees), Calculated Using the Theoretical Model, to the MC Simulations and Previous Dataa.

peptide membrane theoretical model MC previous data
WALP19 DLPC 19 17.1 ± 7.5 11 (NMR)41
        13.5 ± 7.2 (MD)33
  DMPC 14   4 (NMR)41
      13.3 ± 6.6 12.1 (MD)9
        13 (MD)38
WALP23 DLPC 28 24.4 ± 9.7 17.5 ± 7.6 (MD)33
        23.7 ± 8.8 (MD)35
        29 ± 5 (NMR)37
        36 (NMR)41
  DMPC 19 17.3 ± 8.4 14 ± 5 (NMR)37
        20.8 ± 1.4 (NMR)34
        22 (NMR)41
        26.9 ± 6.7 (MD)40
        28 (MD)38
        28.1 (MD)9
        33.5 (MD)36
        36 ± 19 (MD)28
  DPPC 13 13.1 ± 7.1 12.3 ± 6.5 (MD)35
        ∼15 (MD)39
WALP27 DMPC 21 29.2 ± 9.7 43.3 (MD)9
a

The method used is listed in parentheses. Where possible, the values are shown as average ± standard deviation. NMR, nuclear magnetic resonance; MD, molecular dynamics.