Table 2 Rupture force (Fmax), rupture time (tmax), work of the external force (W), and non-equilibrium binding free energy ∆Gbind and ∆Gunbind for the H11-H4–RBD, CR3022–RBD, and H11-H4 + CR3022–RBD complexes.

From: Antibody–nanobody combination increases their neutralizing activity against SARS-CoV-2 and nanobody H11-H4 is effective against Alpha, Kappa and Delta variants

 

v = 0.5 nm/ns

H11-H4

CR3022

H11-H4 + CR3022

Fmax (pN)

925.6 ± 15.2

1214.2 ± 21.2

2034.9 ± 27.7

tmax (ps)

2219.3 ± 38.5

3203.4 ± 36.9

4539.8 ± 47.2

W (kcal/mol)

101.6 ± 3.4

208.6 ± 5.3

461.3 ± 5.7

∆∆Gunbind (kcal/mol)

82.5 ± 2.1

140.2 ± 2.9

379.0 ± 4.2

∆∆Gbind (kcal/mol)

82.1 ± 2.5

137.9 ± 3.7

378.5 ± 4.4

  1. The results were obtained from five independent SMD trajectories for the WT case at a pulling speed of v = 0.5 nm/ns. The errors represent standard deviations.
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