Table 1. Simulations performed in this study.
Name | Simulation details† | Temperature (K) | No of Trajectories# | Simulation time (ns)* | |
---|---|---|---|---|---|
1 | DEGLYCO | Fc deglycosylated | 300 | 2 | 100 |
2 | M3N2 | Fc with truncated glycans‡ | 300 | 2 | 100 |
3 | G2F | Fc with intact glycans but no sialyic acids | 300 | 2 | 100 |
4 | DEGLYCO | Fc deglycosylated | 375 | 2 | 100 |
5 | M3N2 | Fc with truncated glycans‡ | 375 | 2 | 100 |
6 | G2F | Fc with intact glycans but no sialyic acid | 375 | 2 | 100 |
† See Figure 2 for information on glycan carbohydrates. ‡Missing GAL7/10 and NAG6/9. # Total number of simulations was 12. *Total simulation time in this study was 1.2 μs.