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. 2020 Dec 5;120(1):101–108. doi: 10.1016/j.bpj.2020.11.2263

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.