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. Author manuscript; available in PMC: 2015 Apr 5.
Published in final edited form as: J Comput Chem. 2014 Apr 5;35(9):711–721. doi: 10.1002/jcc.23544

Table 3.

Comparison of blocking current between BROMOC and available experiments. Currents in pA.

ss-DNA Entrance Orientation BROMOC Exp. 151 Exp. 2*
PROXDIFF on PROXDIFF off
αHL
Open Pore 416.6 ± 9.1 116 ± 3 212 ± 5
PolyA40 3′ 4.1 ± 2.7 4.6 ± 3.4 18.6 ± 0.6 26.9
5′ 6.1 ± 2.4 6.0 ± 2.2 22.0 ± 0.6 33.1
PolyC40 3′ 16.3 ± 11.2 14.3 ± 9.6 21.7 ± 0.6 30.3
5′ 18.4 ± 5.5 20.8 ± 6.2 20.3 ± 0.6 33.5
PolyT40 3′ 11.2 ± 5.0 13.5 ± 4.3 19.2 ± 0.6 28.5
5′ 13.9 ± 3.2 13.1 ± 3.9 18.5 ± 0.6
αHL-NYN
Open Pore 474.7 ± 6.4 - 216.3
PolyA40 3′ 18.6 ± 6.4 - - 29.2
5′ 20.3 ± 8.9 - - 33.5
PolyC40 3′ 31.5 ± 8.6 - - 37.2
5′ 34.9 ± 9.0 - - 37.7
PolyT40 3′ 29.9 ± 5.4 - - -
5′ 28.6 ± 8.6 - - -

PROXDIFF: Ion Diffusion in proximity of DNA

*

Communicated by Electronic Bioscience (EBS).

Standard Deviation obtained from 25 independent BROMOC simulations.

Conditions:

αHL/BROMOC: C = 1 M KCl, Vmp = 250mV.

αHL/Exp 1: C = 1M of KCl, Vmp = 120 mV.

αHL-NYN/Exp 2 conditions: C = 3M of NaCl, V = 120 mV.