Using the pH,pL Relation
This can be used to obtain the free-energy difference
- Several equivalent formulations
More sophisticated methods are available
- Examine them later; present interest is using distributions to understand FEP performance
Plot ln[pL/pH] vs u; slope -b, intercept bDA
Requires that distributions have region of overlap
Plot lnpL+bu/2 and lnpH - bu/2 vs. u on same plot; constant difference between is bDA
Can be applied to nonoverlapping distributions if interpolating form is known