Skip to main content
. Author manuscript; available in PMC: 2020 Aug 13.
Published in final edited form as: J Chem Theory Comput. 2019 Jul 2;15(8):4632–4645. doi: 10.1021/acs.jctc.9b00084

Figure 4.

Figure 4

Thermodynamic cycle used to compute the relative free energy difference of solvation ΔΔAsolvAB=ΔAsolvBΔAsolvA=ΔAaqABΔAgaspAB for two solutes X and Y.