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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 inhibits the archeabacterial vo...

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Publication status:
Published

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Publisher copy:
10.1016/j.bpj.2009.12.4321

Authors


Gavaghan, D More by this author
Sansom, MS More by this author
Journal:
Biophysical journal
Volume:
98
Issue:
8
Pages:
1558-1565
Publication date:
2010-04-05
DOI:
EISSN:
1542-0086
ISSN:
0006-3495
URN:
uuid:01b8ce5c-679f-4e10-9dc9-a3981a27d73c
Source identifiers:
100778
Local pid:
pubs:100778

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