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. 2018 Sep 12;8:13668. doi: 10.1038/s41598-018-32028-7

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© The Author(s) 2018

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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Free energy surfaces projected along the first two principal components. (a) HP5A and (b) GB1p. Only conformations sampled at 270 K during the last 60 ns of REX-MD were included and the principal components were derived by including backbone structures of both HP5A and GB1p. The arrows mark the location of folded basins. Contours are drawn at every kT.