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. 2017 Oct 3;7:12567. doi: 10.1038/s41598-017-12930-2

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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(A) 1-D Potential of mean force (PMF) profile along the biased reaction coordinate as obtained from 15 umbrella sampling simulations within range of 10.5–20 Å. Errors in the PMF profile are shown in red. (B) Two-dimensional free energy profile along the biased reaction coordinate, d and rmsd values determined from umbrella sampling simulations. The representative structures are shown for each minima observed by violet-colored islands. Crystal structure of bound mRNA is shown for comparison.