Table 2. Estimation of the Binding Free Energies on ERαa.
| OHT | TAML | [CuTAML(OH)2] | [AuTAML(OH)Cl] | |
|---|---|---|---|---|
| ΔGb | –21.3 ± 4.3 | –24.9 ± 3.3 | –21.7 ± 3.8 | –23.3 ± 5.0 |
Binding free energies (ΔGb, kcal/mol) of 4-hydroxytamoxifen (OHT), TAML, [CuTAML(OH)2], and [AuTAML(OH)Cl] to ERα as calculated with the MM-PBSA method. Standard deviation is reported.