Table 2.

Interaction energies between doxepin and the H₁ receptor. Averages and standard deviations ($n=5000$ frames) were calculated using MM/GBSA. Values are averaged over two independent simulation runs for each system.

System	Binding Energy [kcal·mol−1]
H1R-wildtype	−33.71 ± 0.05
H1R-N198S	−31.34 ± 0.04
H1R-T194A	−32.74 ± 0.04
H1R-Y108C	−31.75 ± 0.05
H1R-V80I	−32.27 ± 0.04