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. 2015 Apr 7;108(7):1758–1772. doi: 10.1016/j.bpj.2015.02.005

Table 6.

Simulation results for the retractive forces of a [VPGVG]5 and AAAAA peptide

End-to-end displacement Δr (Å) Entropic force (kJ/mol) Energy force (kJ/mol) Total force (kJ/(mol Ǻ))
[VPGVG]5
Water 89.4 8.1 −0.2 8.0
2 M glucose 72.7 6.3 3.7 10.0
AAAAA
Water 5.5 22.7 6.7 29.3
2 M glucose 8.5 14.1 3.5 17.7

Entropic force and energy forces are computed from the values in Table 5. Entropic force is given by fs=TΔs/(Δr) (T = 310 K) and energy force by fe=ΔU/Δr.