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. 2014 Jul 7;111(33):12067–12072. doi: 10.1073/pnas.1405831111

Table 1.

Thermodynamic parameters and kinetic rate constants

Ligand	Binding to	Expt. K_d^*, μM	Simulated K_d^†, μM	Simulated k_off^†, s⁻¹	Simulated k_on^†, M⁻¹⋅s⁻¹	−TΔS^‡, kcal/mol
c-Myb	KIX	10 ± 2	30 ± 8	5.92E+06 ± 0.94E+06	0.20E+12 ± 0.02E+12	0.8
c-Myb	KIX-MLL	4 ± 1	3 ± 1	1.36E+06 ± 0.24E+06	0.48E+12 ± 0.17E+12	1.4
MLL	KIX	2.8 ± 0.4	0.8 ± 0.3	2.46E+06 ± 0.54E+06	3.19E+12 ± 0.60E+12	1.2
MLL	KIX-c-Myb	1.7 ± 0.1	0.1 ± 0.1	0.75E+06 ± 0.10E+06	6.02E+12 ± 0.57E+12	1.4

^*

Experimental K_d published in ref. 13.

^{^†}

Averaged over three groups of 20 simulations.

^{^‡}

Calculated at 300 K relative to KIX-free.