Shaitan, K. V.; Sokolova, O. S.; Shaitan, A. K.; Kasimova, M. A.; Novoseletsky, V. N.; Kirpichnikov, M. P.
INFLUENCE OF INTERIONIC INTERACTIONS ON FUNCTIONAL STATE OF KV CHANNELS AND ON BLOCKER BINDING
Vestnik Moskovskogo Universiteta Seriya 16 Biologiya, Issue 4, 17-23, OCT-NOV 2012

In this study we estimate the ionic current of voltage-gated potassium channel KcsA (all-atom model) on 100 ns trajectories and interactions of mammalian voltage-gated channel Kv1.2 with neurotoxin. Supercomputer "Lomonosov" has been used. Free energy profiles for one and three potassium ions in the KcsA pore were calculated. At physiological conditions ions pass through the channel pore cooperatively by files with three ions. The study of the influence of interionic interactions on the current and the influence of ionic concentration on the blocker binding were done.

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