Table 2.

Binding energies of ligands calculated using LIE method.

	Binding energy (kcal/mole)
System	Capzimin	CSN5i-3
Rpn11	−37.815 ± 2.898	−5.401 ± 2.023
Rpn8-Rpn11	−38.265 ± 3.006	0.103 ± 2.023
CSN5	−36.724 ± 3.007	−6.043 ± 2.010
CSN5-CSN6	−26.429 ± 3.054	−8.710 ± 1.975

The final 20 ns of each trajectory were used to calculate LIE. Data represented here are averages of three independent MD simulation runs. (α = 018, β = 0.37 for CSN5i-3 and 0.45 for capzimin). Bold values refer to protein-protein complexes.