Tiziana Mordasini, Alessandro Curioni, et al.
ChemBioChem
Molecular dynamics calculations have been carried out on a model of the LS3 synthetic ion channel in a membrane mimetic environment. In the absence of an external electrostatic field, the LS3 channel, which consists of a bundle of six α-helices with sequence Ac-(LSSLLSL)3-CONH2, exhibits large structural fluctuations. However, in the presence of the field, the bundle adopts a well defined coiled-coil structure with an inner pore of water. The observed structural changes induced by the applied field are consistent with the proposed gating mechanism of the ion channel.
Tiziana Mordasini, Alessandro Curioni, et al.
ChemBioChem
S.B. Broyde, S.S. Brody
Biochemical and Biophysical Research Communications
James Kaufman, Christopher Elkins, et al.
arXiv
Matthias Reumann, Blake G. Fitch, et al.
EMBC 2009