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Ion channel gating: insights via molecular simulations

Beckstein, Oliver; Biggin, Philip; Bond, Peter; Bright, Joanne Nicole; Domene, Carmen; Grottesi, Alessandro; Holyoake, John; Sansom, Mark S P


Ion channels are gated, i.e. they can switch conformation between a closed and an open state. Molecular dynamics simulations may be used to study the conformational dynamics of ion channels and of simple channel models. Simulations on model nanopores reveal that a narrow (<4 Å) hydrophobic region can form a functionally closed gate in the channel and can be opened by either a small (∼1 Å) increase in pore radius or an increase in polarity. Modelling and simulation studies confirm the importance...[Show more]

CollectionsANU Research Publications
Date published: 2003
Type: Journal article
Source: FEBS Letters
DOI: 10.1016/S0014-5793(03)01151-7


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