TABLE 2.
System | Escape paths found | |||||
---|---|---|---|---|---|---|
TRβ with T3 | I | I | I | I | I | I |
TRβ with GC24 | III | III | III | III | III | III |
TRβ with IH5 | I | I | I | I | III | I |
TRα1 with IH5 | III | III | I* | I | III | I |
TRβ A317T with Triac | II | I | III | II | I | II |
TRβ A234T with Triac | II | II | II | II | II | II |
All simulations here were performed with 50 copies of the ligand.
One of the 50 copies left the binding cavity through Path III.