Table 2.
Average values of radius of gyration (Rg) of G5, G5M, G5-Ac90, and G5M-Ac90 over the last 500ps of the simulations. These values are compared with experiments and other simulations
Radius of Gyration (nm)
|
||||||
---|---|---|---|---|---|---|
Experiment
|
Simulation
|
|||||
Prosa et al.5 | Choi et al.26 | This work | Maiti et al.11 | Lee et al.8* | Maiti et al.10* | |
G5 | - | 2.50 | 2.51 ± 0.01 | 2.22 ± 0.01 | 3.28 | 1.83 |
G5M | 2.41 | - | 2.57 ± 0.01 | - | - | - |
G5-Ac90 | - | 2.35 | 2.11 ± 0.01 | - | - | - |
G5M-Ac90 | - | - | 2.33 ± 0.01 | - | - | - |
These simulations were performed without explicit water.