Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution

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.

Bibliographic Details
Main Authors: Davide Bochicchio, Matteo Salvalaglio, Giovanni M. Pavan
Format: Article
Language:English
Published: Nature Portfolio 2017-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-017-00189-0
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author Davide Bochicchio
Matteo Salvalaglio
Giovanni M. Pavan
author_facet Davide Bochicchio
Matteo Salvalaglio
Giovanni M. Pavan
author_sort Davide Bochicchio
collection DOAJ
description 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.
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spelling doaj.art-4bd2af3a64fe4d4eb11b76f971ce429f2022-12-21T22:58:13ZengNature PortfolioNature Communications2041-17232017-07-018111110.1038/s41467-017-00189-0Into the Dynamics of a Supramolecular Polymer at Submolecular ResolutionDavide Bochicchio0Matteo Salvalaglio1Giovanni M. Pavan2Department of Innovative Technologies, University of Applied Sciences and Arts of Southern SwitzerlandThomas Young Centre and Department of Chemical Engineering, University College LondonDepartment of Innovative Technologies, University of Applied Sciences and Arts of Southern SwitzerlandAccessing 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.https://doi.org/10.1038/s41467-017-00189-0
spellingShingle Davide Bochicchio
Matteo Salvalaglio
Giovanni M. Pavan
Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution
Nature Communications
title Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution
title_full Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution
title_fullStr Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution
title_full_unstemmed Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution
title_short Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution
title_sort into the dynamics of a supramolecular polymer at submolecular resolution
url https://doi.org/10.1038/s41467-017-00189-0
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AT matteosalvalaglio intothedynamicsofasupramolecularpolymeratsubmolecularresolution
AT giovannimpavan intothedynamicsofasupramolecularpolymeratsubmolecularresolution