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. 2022 Apr 14;114:108194. doi: 10.1016/j.jmgm.2022.108194

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Fig. 4 — Free energy landscape of the WT and VOCs. The Gibbs free energy landscape was constituted from the simulated structures on the plane defined by the first principal component of ACE2 and RBD in (a) WT, (b) Alpha, (c) Beta, (d) Gamma, and (e) Delta. The state with the lowest energy is colored in red. The two clusters formed by RBD are shown in green and magenta cartoons. The clusters are formed primarily due to loop dynamics. . (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)