Skip to main content
. Author manuscript; available in PMC: 2022 Mar 18.
Published in final edited form as: J Phys Chem Lett. 2021 Mar 15;12(10):2509–2515. doi: 10.1021/acs.jpclett.1c00189

Table 1:

Absolute free energy of states A and B, FA and FB, and binding free energy ΔFbindinga of the four guests calculated using the DeepBAR method.

guest FA FB ΔFbinding
GI 1554.73±0.29 1567.37±0.22 −12.63±0.25
GII 1649.22±0.12 1664.05±0.18 −14.82±0.28
GIII 1722.73±0.17 1750.38±0.17 −27.65±0.15
GIV 1750.68±0.20 1780.54±0.24 −29.87±0.21
a

Standard deviations are computed using three independent repeats and the unit of free energy is kcal/mol.