Article
To gate or not to gate: using molecular dynamics simulations to morph gated plant aquaporins into constitutively open conformations.
The journal of physical chemistry. B - 16 Apr 2009
Khandelia Himanshu, Jensen Morten Ø, Mouritsen Ole G
Abstract excerpt
The spinach plant aquaporin SoPIP2;1 is a gated water channel, which switches between open and closed states depending on the conformation of a 20-residue cytoplasmic loop, the D-loop. Using fully atomistic molecular dynamics simulations, we have investigated the possibility of driving the confor...
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