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. Author manuscript; available in PMC: 2016 Feb 16.
Published in final edited form as: Eur J Med Chem. 2014 Aug 25;0:27–42. doi: 10.1016/j.ejmech.2014.08.064

Figure 4. Example of the thermodynamic cycle that can be used to calculate the free energy of binding by exploiting the LRA approximation.

Figure 4

Within the LIE class of methods, only the uppermost cycle is explicitly employed. “Ele” subscript stands for “electrostatics” and “vdW” for “Van der Waals”. Superscript “p” means protein, and “w” means solvent.