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.

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Detalles Bibliográficos
Autores principales: Davide Bochicchio, Matteo Salvalaglio, Giovanni M. Pavan
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/4bd2af3a64fe4d4eb11b76f971ce429f
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Sumario: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.