TABLE 2.
Energetic components of binding energy for SARS-CoV-2 RBD-mAbs complexes (kj/mol).
| Systems | ΔEvdw | ΔEelec | ΔGpol | ΔGapol | ΔGbind |
| CB6(heavy)-RBD (wild) | −297.09(27.9) | −288.93(67.1) | 491.56(112.9) | −35.28(2.5) | −129.73(77.6) |
| CB6(heavy)-RBD (N439K) | −317.27(18.9) | −400.23(33.6) | 703.82(66.3) | −37.59(2.1) | −51.28(67.1) |
| CB6(light)-RBD (wild) | −140.76(13.1) | 29.7(26.3) | 217.82(76.8) | −17.77(2.2) | 89.03(69.4) |
| CB6(light)-RBD (N439K) | −123.10(16.4) | 82.43(29.5) | 205.90(93.7) | −16.76(2.6) | 148.46(92.6) |
| REGN10987(heavy)-RBD (wild) | −135.28(14.9) | −208.45(34.6) | 276.61(92.2) | −18.52(2.9) | −85.65(91.0) |
| REGN10987(heavy)-RBD(N439K) | −105.99(13.3) | −192.56(42.2) | 338.70(73.2) | −16.05(2.5) | 24.10(61.9) |
| REGN10987(light) -RBD (wild) | −58.06(9.7) | 108.65(60.8) | 176.58 (95.0) | −10.28(2.7) | 216.88(69.4) |
| REGN10987(light)- RBD (N439K) | −143.13 (13.0) | 55.96(17.0) | 142.02 (74.7) | −18.44(2.0) | 36.40(71.4) |
Standard errors of the mean (SEM) are provided in parentheses.