Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 111, Issue -, Pages 380-386Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2015.09.044
Keywords
Gramicidin; Nanobiotechnology; Simulations; Proton
Categories
Funding
- ANR (Agence National de la Recherche, France) [ANR-2012-BS08-0023]
Ask authors/readers for more resources
Theoretical investigations based principally on Monte Carlo calculations were conducted to interpret the hindered mobility of protons which was experimentally observed in a hybrid biological/artificial nanopore constituted of the ion bio-channel gramicidin A confined inside an artificial solid-state nanopore. We show that this experimental outcome may result from the high concentration of gramicidin A that progressively diminishes the transfer of proton from one side to the other of the nanopore. More, using molecular dynamic simulations data we demonstrate that the water molecules are repelled from the gramicidin structure outside the nanopore, leading to a strong decrease of the proton transfer. (C) 2015 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available