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. 2018 Oct 31;8:16107. doi: 10.1038/s41598-018-34254-5

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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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Molecular dynamics simulation of the vaccine candidate (A) Temperature; system temperature reached to 300 K and stay constant around 300 K (100 ps) (B) Pressure; Ligand pressure plot at equilibration phase of 100 ps. (C) Rg plot; vaccine construct is stable in its compact form during the simulation time (D) RMSD; RMSD levels off to ~0.45 which represents the stability of vaccine construct (E) RMSF; RMSF-Root Mean Square Fluctuation plot, peaks shows the regions with high flexibility.