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Table 1 Binding energies (in kJ/mol) obtained from single-trajectory analysis

From: Are different stoichiometries feasible for complexes between lymphotoxin-alpha and tumor necrosis factor receptor 1?

  (TNFR1)2 LT-(TNFR1)1 LT-(TNFR1)2 LT-(TNFR1)3
∆HvdW −671.6 ± 1.2 −739.5 ± 2.2 −600.7 ± 1.7 −670.4 ± 1.9
∆Helect −668.7 ± 3.5 −676.5 ± 4.3 −567.4 ± 4.6 −662.8 ± 4.2
∆Gpolar 709.3 ± 3.3 700.9 ± 4.0 589.9 ± 2.0 680.4 ± 1.8
∆Gapolar −60.7 ± 0.1 −73.4 ± 0.2 −59.3 ± 0.1 −66.7 ± 0.2
∆Gbinding −691.6 ± 5.0 −788.5 ± 6.3 −637.5 ± 6.4 −719.4 ± 6.2
  1. The actual numbers of the binding energies are certainly too large (too negative). However, their relative magnitude is more reliable and allows to draw qualitative conclusions.