Figure 3.

Underestimation of the relative free energy differences. Data are taken from previous FEP+ calculations from a) Wang et al.,¹² b) Pérez‐Benito et al.,²⁰ c) Roos et al.¹⁹ using OPLS3, and d) Roos et al.¹⁹ using OPLS3e force field. See Table 4 for quantitative assessments.