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. 2023 Jan 27;13:1494. doi: 10.1038/s41598-023-28716-8

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© The Author(s) 2023, corrected publication 2023

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Spike RBD interactions with compounds #2 (A), #4 (B), #15 (C), #17 (D) monitored throughout the simulation trajectories. The interactions are clustered by type and shown in bar diagram including H-bonds (green), hydrophobic (light purple), ionic (pink) and water bridges (blue).