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. Author manuscript; available in PMC: 2017 Jun 6.
Published in final edited form as: J Phys Chem B. 2016 Nov 23;120(48):12293–12304. doi: 10.1021/acs.jpcb.6b09535

Figure 2.

Figure 2

Thermodynamic cycle of the MMPBSA method for a membrane protein-ligand system. The membrane protein is depicted in yellow, the ligand is depicted in orange, the implicit membrane is shown in red, the water solvent is shown with blue, and the vacuum is shown with black. ΔG0 values are labelled for the various transitions from one state to another.