Nature Communications (Aug 2018)

Discovering privileged topologies of molecular knots with self-assembling models

  • Mattia Marenda,
  • Enzo Orlandini,
  • Cristian Micheletti

DOI
https://doi.org/10.1038/s41467-018-05413-z
Journal volume & issue
Vol. 9, no. 1
pp. 1 – 8

Abstract

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Only a few different types of supramolecular knots have been synthesized so far. Here the authors use Monte Carlo sampling, molecular dynamics and combinatorics to discover new knot types made of identical templates.