Table 1. MD studies of rate constants in... | Rockefeller University Press

Table 1.

MD studies of rate constants in pores

Parameter	Gramicidin (Na⁺)^a	IRK1 (K⁺)^b	KcsA (Ba²⁺)^c
κ_RF	0.11	0.1	-
κ_GH	0.1	0.1	0.25
κ_Kr	0.08	0.06	-
ΔG* (kcal/mol)	4.5	-	15
ω_R/2π (s⁻¹)	5.2 × 10¹²	-	4.1 × 10¹³
k_TST (s⁻¹)	2.1 × 10⁹	-	208
α = κ_GHk_TST (s⁻¹)	2.1 × 10⁸	-	52
α_exp (s⁻¹)	4.0 × 10⁸	-	204

Parameter	Gramicidin (Na⁺)^a	IRK1 (K⁺)^b	KcsA (Ba²⁺)^c
κ_RF	0.11	0.1	-
κ_GH	0.1	0.1	0.25
κ_Kr	0.08	0.06	-
ΔG* (kcal/mol)	4.5	-	15
ω_R/2π (s⁻¹)	5.2 × 10¹²	-	4.1 × 10¹³
k_TST (s⁻¹)	2.1 × 10⁹	-	208
α = κ_GHk_TST (s⁻¹)	2.1 × 10⁸	-	52
α_exp (s⁻¹)	4.0 × 10⁸	-	204

α_exp, experimental rate constant; Kr, Kramers theory; RF, reactive flux method.

Roux and Karplus (1991).

White et al. (2000); Tolokh et al. (2002).

Rowley and Roux (2013).