Table 4 Rupture force (Fmax), pulling work (W), and non-equilibrium binding (∆Gbind) and unbinding (∆Gunbind) free energies obtained from five independent SMD trajectories with v = 0.5 nm/ns for H11-H4–RBD.

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

 

WT

Beta (B.1.351)

Gamma (P.1)

Lambda (C37)

Mu (B.1.621)

Alpha (B.1.1.7)

Kappa (B.1.617.1)

Delta (B.1.617.2)

Fmax (pN)

925.6 ± 42.2

714.5 ± 36.1

621.3 ± 38.7

776.2 ± 41.3

670.5 ± 33.1

982.6 ± 47.7

1018 ± 57.9

1162.1 ± 52.3

W (kcal/mol)

101.6 ± 3.3

80.8 ± 4.5

67.1 ± 4.9

87.4 ± 5.1

76.6 ± 6.0

105.8 ± 5.8

111.3 ± 9.3

119.5 ± 7.7

∆∆Gunbind (kcal/mol)

82.5 ± 2.1

66.4 ± 3.6

61.3 ± 4.1

68.1 ± 4.4

64.6 ± 3.3

83.8 ± 3.1

87.5 ± 7.0

97.6 ± 6.2

∆∆Gbind (kcal/mol)

82.1 ± 2.9

65.9 ± 4.1

58.7 ± 3.7

67.8 ± 4.8

64.2 ± 3.4

82.7 ± 3.6

85.8 ± 7.3

97.3 ± 5.4

  1. Results are shown for WT and variants Alpha, Beta, Gamma, Kappa, Delta, Lambda and Mu. The errors represent standard deviations.
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