TY - JOUR
T1 - Molecular Dynamics of Membrane-Spanning DNA Channels
T2 - Conductance Mechanism, Electro-Osmotic Transport, and Mechanical Gating
AU - Yoo, Jejoong
AU - Aksimentiev, Aleksei
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2015/12/3
Y1 - 2015/12/3
N2 - DNA self-assembly has emerged as a new paradigm for design of biomimetic membrane channels. Several experimental groups have already demonstrated assembly and insertion of DNA channels into lipid bilayer membranes; however, the structure of the channels and their conductance mechanism have remained undetermined. Here, we report the results of molecular dynamics simulations that characterized the biophysical properties of the DNA membrane channels with atomic precision. We show that, while overall remaining stable, the local structure of the channels undergoes considerable fluctuations, departing from the idealized design. The transmembrane ionic current flows both through the central pore of the channel as well as along the DNA walls and through the gaps in the DNA structure. Surprisingly, we find that the conductance of DNA channels depend on the membrane tension, making them potentially suitable for force-sensing applications. Finally, we show that electro-osmosis governs the transport of druglike molecules through the DNA channels.
AB - DNA self-assembly has emerged as a new paradigm for design of biomimetic membrane channels. Several experimental groups have already demonstrated assembly and insertion of DNA channels into lipid bilayer membranes; however, the structure of the channels and their conductance mechanism have remained undetermined. Here, we report the results of molecular dynamics simulations that characterized the biophysical properties of the DNA membrane channels with atomic precision. We show that, while overall remaining stable, the local structure of the channels undergoes considerable fluctuations, departing from the idealized design. The transmembrane ionic current flows both through the central pore of the channel as well as along the DNA walls and through the gaps in the DNA structure. Surprisingly, we find that the conductance of DNA channels depend on the membrane tension, making them potentially suitable for force-sensing applications. Finally, we show that electro-osmosis governs the transport of druglike molecules through the DNA channels.
KW - DNA nanotechnology
KW - electro-osmosis
KW - ionic current
KW - mechano-sensitive channels
KW - molecular dynamics
KW - nanopore
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U2 - 10.1021/acs.jpclett.5b01964
DO - 10.1021/acs.jpclett.5b01964
M3 - Article
C2 - 26551518
AN - SCOPUS:84949009825
SN - 1948-7185
VL - 6
SP - 4680
EP - 4687
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 23
ER -