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By combining experimental and computational techniques, we unravel the molecular‐level factors that govern with atomistic precision the movements of molecular machines called rotaxanes. We derive general guidelines for the rational identification of components that can be useful for designing novel molecular‐based devices, machines and materials based on mechanically interlocked molecules and supramolecular counterparts.

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This page is a summary of: Precision Molecular Threading/Dethreading, Angewandte Chemie International Edition, June 2020, Wiley,
DOI: 10.1002/anie.202003064.
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