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Hydrogen bonds and asymmetrical heat diffusion in a-Helices. A Computational Analysis
In this work, we report the heat rectifying capability of a-helices. Using
molecular dynamics simulations we show an increased thermal diffusivity in the
C-Terminal to N-Terminal direction of propagation. The origin of this effect
seems to be a function of the particular orientation of the hydrogen bonds
stabilizing these a-helices. Our results may be relevant for the design of
thermal rectification devices for materials science and lend support to the
role of normal length hydrogen bonds in the asymmetrical energy flow in
proteins
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