Table 1. Estrogen receptor binding affinities for different isoforms obtained at 277 K.

(A) Insertion
	ER	ER	ER	ER
	−21.5	−27.6	−31.4	−24.2
	−146.7	−126.5	−132.4	−144.1
	48.9	49.9	52.4	49.9
	61.8	—	—	—
	−6.8	—	—	—
	−64.3	−49.2	−56.4	−63.4

All results are in kJ/mol. The binding affinities were calculated using Eqn 1. Both insertion and deletion directions give very similar results which demonstrates that our simulations are well converged.