Nature Communications (Jul 2017)

Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution

  • Davide Bochicchio,
  • Matteo Salvalaglio,
  • Giovanni M. Pavan

DOI
https://doi.org/10.1038/s41467-017-00189-0
Journal volume & issue
Vol. 8, no. 1
pp. 1 – 11

Abstract

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Accessing the dynamics of soft self-assembled materials at high resolution is very difficult. Here the authors show atomistic and coarse-grained modelling combined with enhanced sampling to characterize the molecular mechanisms and kinetics of monomer exchange in synthetic supramolecular polymers.