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Correlated translational motions in pseudo -rotaxane complexes controlled by a single chemical stimulus.

Naoko KoteraPilar MontellanoAldo C CatalánAnayeli Carrasco-RuizRuy CervantesJorge Tiburcio
Published in: Organic & biomolecular chemistry (2023)
Coordinated motions are essential in the operation of molecular machines. This feature can be achieved by landscaping the energy surface along the movement coordinates. Herein, we present an approach of using a single stimulus to modify the free energy curve describing the threading and shuttling of a ring along a linear molecule. This approach has been realized by locating two identical ring-binding sites near the axle termini.
Keyphrases
  • machine learning
  • deep learning
  • single molecule