Table 1 Binding free energies of 2GBI (gbi1 and gbi2) to Hv1, for mutant Hv1 compared to wild type Hv1. The uncertainties represent the root sum square values of standard errors from the Bennett acceptance ratio for the apo and holo states. The data presented here is also plotted in Fig. 5.

From: Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations