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Computational modelling and molecular dynamics simulations of ligand-gated ion channelsAmiri, Shiva January 2006 (has links)
Torpedo AChR structure was used to make models of other LGICs. Coarse-grain MD allowed the identification of residues in the TM domain interacting with the lipid-bilayer. Born energy profiles through LGIC pores reveal that the EC domain plays a key role in ion selectivity.
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