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. 2022 Oct 5;4:1009451. doi: 10.3389/fmedt.2022.1009451

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© 2022 Valério, Borges-Araújo, Melo, Lousa and Soares.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Closeup snapshots of SARS-CoV-2 RBD intramolecular interactions that stabilize the various conformations. Snapshots from AA MD simulations showcasing crucial intramolecular interactions responsible for stabilizing the open, closed, and reversed conformations for the wt (A,F), Alpha (B,G), Beta (C,H), Omicron (D,I) and Delta (E,J) RBD variants. The ridge region of the RBD is colored in red and residues of interest in green. Text labels indicate relevant residues, with shaded labels indicating mutations relative to wt. All figures are rotated 180° relative to Figures 1, 2, apart from snapshot J.