Table 5.
Energy Components (kcal·mol−1) | R-AMC–zmCP1 | D-AMC–zmCP1 |
---|---|---|
∆Eele | −172.62 | −106.88 |
∆EvdW | −33.5 | −31.4 |
∆GPB | 170.65 | 129.89 |
∆Gnp | −5.44 | −5.46 |
Non-polar | −38.94 | −36.86 |
Polar | −1.97 | 23.01 |
∆Gbind | −40.91 | −13.85 |
Energy Components (kcal·mol−1) | R-AMC–zmCP1 | D-AMC–zmCP1 |
---|---|---|
∆Eele | −172.62 | −106.88 |
∆EvdW | −33.5 | −31.4 |
∆GPB | 170.65 | 129.89 |
∆Gnp | −5.44 | −5.46 |
Non-polar | −38.94 | −36.86 |
Polar | −1.97 | 23.01 |
∆Gbind | −40.91 | −13.85 |