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Interactions Between a Voltage Sensor and a Toxin via Multiscale Simulations

Abstract:
Gating-modifier toxins inhibit voltage-gated ion channels by binding the voltage sensors (VS) and altering the energetics of voltage-dependent gating. These toxins are thought to gain access to the VS via the membrane (i.e., by partitioning from water into the membrane before binding the VS). We used serial multiscale molecular-dynamics (MD) simulations, via a combination of coarse-grained (CG) and atomistic (AT) simulations, to study how the toxin VSTx1, which i

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Journal:
BIOPHYSICAL JOURNAL
Volume:
98
Issue:
8
Pages:
1558-1565
Publication date:
2010-01-01
URN:
uuid:d45f5f23-8237-41c1-99e1-9ffc47729ce6
Local pid:
cs:4223

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