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. Author manuscript; available in PMC: 2023 Jan 1.
Published in final edited form as: J Biomol Struct Dyn. 2021 Aug 20;40(22):11594–11610. doi: 10.1080/07391102.2021.1964601

Figure 8.

Figure 8.

Residue decomposition plots obtained from MM-PBSA that represent the binding energy contribution of active site residues in ACE2 (A), SARS-CoV-2 RBD (B) and TMPRSS2 (C) when binding with 1,25(OH)2D3 based on the equilibrated last 70 ns MD simulations trajectories.