Molecular modeling revealed that ligand dissociation from thyroid hormone receptors is affected by receptor heterodimerization

- We investigated the effect of TR heterodimerization on T3 dissociation.
- TR heterodimerization causes complete loss of pathway I in TR α-RXR LBD.
- The second dominant dissociation pathway switched after TR heterodimerization.
- Mechanisms of T3 egress were elucidated at atomic level.