Table 1. Summary of MD Simulations.

Receptor/Oligomeric State	PDB ID	Length of Simulation		Activity of State
		Total Time	Period Used in Analysis
PXR-RXR heterodimer*	1ILG	30 ns	20–30 ns	Inactive
PXR-RXR heterotetramer*	1ILG	30 ns	20–30 ns	Active-capable
PPARγ467L-RXR heterodimer	1RDT**	20 ns	10–20 ns	Inactive
PPARγ-RXR heterodimer	1RDT	20 ns	10–20 ns	Active-capable
ERα monomer	1ERE	20 ns	10–20 ns	Inactive
ERα dimer	1ERE	25 ns	15–25 ns	Active-capable

*: All PXR simulations are based on 1ILG with residues 178–197 modeled in InsightII.

**: Single-site mutant of PPARγ generated in Pymol. There is no crystal structure of the mutant.