Table 1 Binding free energy calculation of protein complex.
Model Number | Illustration of model | Calculation of binding free energy | kcal·mol−1 |
---|---|---|---|
Model 1 | AaMinCD complex | D to 2C + Da | −85.54 |
Model 2 | AaMinC-Δhelix3/AaMinD complex | D to 2C + D | −45.86 |
Model 3 | Assembled EcMinCD complex | D to 2C + D | −31.94 |
Model 4 | EcMinC-Aahelix3/EcMinD complex | D to 2C + D | −41.25 |
Model 5 | EcMinDE complex | 2D to 2Eb | −89.21 |
Model 6 | Assembled EcMinCD complex | 2D to 2C | −79.96 |