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Article

Energetics of discrete selectivity bands and mutation-induced transitions in the calcium-sodium ion channels family.

Physical review. E, Statistical, nonlinear, and soft matter physics - 1 Nov 2013

Kaufman I, Luchinsky D G, Tindjong R, McClintock P V E, Eisenberg R S

Abstract excerpt

We use Brownian dynamics (BD) simulations to study the ionic conduction and valence selectivity of a generic electrostatic model of a biological ion channel as functions of the fixed charge Q(f) at its selectivity filter. We are thus able to reconcile the discrete calcium conduction bands recently revealed in our BD simulations, M0 (Q(f)=1e), M1 (3e), M2 (5e), with a set of sodium conduction bands L0 (0.5e), L1...

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Identifiers

PMID: 24329301
DOI: 10.1103/PhysRevE.88.052712

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