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. 2020 Jan 22;5(4):1773–1781. doi: 10.1021/acsomega.9b02263

Figure 3.

Figure 3

MD simulation analysis during 20 ns run. (A) Root mean square deviations of all the four systems are stable during the entire simulation. (B) Potential energy profiles. (C) Radius of gyration to estimate the compactness. (D) Enumerating the number of hydrogen bonds.