Hu Qiu

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The stability and ion binding properties of the homo-tetrameric pore domain of a prokaryotic, voltage-gated sodium channel are studied by extensive all-atom molecular dynamics simulations, with the channel protein being embedded in a fully hydrated lipid bilayer. It is found that Na(+) ion presents in a mostly hydrated state inside the wide pore of the(More)
We investigate by means of molecular dynamics simulations stretch-induced stepwise translocation of single-stranded DNA (ssDNA) through graphene nanopores. The intrinsic stepwise DNA motion, found to be largely independent of size and shape of the graphene nanopore, is brought about through alternating conformational changes between spontaneous adhesion of(More)
The signaling molecules in neuron called neurotransmitters play an essential role in transportation of neural signal, during which the neurotransmitters interact with not only specific receptors but also cytomembranes such as synaptic vesicle membranes and postsynaptic membranes. Here we investigate by extensive molecular dynamics simulations the(More)
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