Table 1.
Calculated Absolute Binding Free Energy for Au-Carbene-G-Quadruplex Binding
Contribution | Result [kcal/mol] | Standard Error [kcal/mol] |
---|---|---|
ΔGbind,restr | −14.9 | ±0.7 |
ΔGo,bulk | 6.4 | N/A |
ΔGconf,bulk | 3.6 | ±0.1 |
−ΔGa,site | −0.6 | ±0.2 |
−ΔGo,site | −3.1 | ±0.6 |
−ΔGconf,site | −1.8 | ±0.1 |
ΔGbind,0 | −10.4 | ±1.0 |
N/A, not applicable.