Table 2.

Energy minima of the multiple walker metadynamics simulations. The CV values for the global free energy (FE) minima from the simulations are compared with the CV values measured for the reference structures described in Table 1. Moreover, the table lists the percentages of frames from the multiple walker trajectories, which have a CV value within 3 Å of these minima.

System	CV of Reference	CV of FE Minimum	Frames with $\mathbf{\Delta }$CV ≤ 3 Å
H1R + histamine	4.3 Å	4.6 Å	15.6%
${\beta }_2$AR + adrenaline	6.6 Å	6.4 Å	22.0%
${\beta }_2$AR + alprenolol	8.6 Å	8.2 Å	16.8%