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Discovering privileged topologies of molecular knots with self-assembling models

Despite the several available strategies to build complex supramolecular constructs, only a handful of different molecular knots have been synthesised so far. Here, in response to the quest for further designable topologies, we use Monte Carlo sampling and molecular dynamics simulations, informed by...

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Detalles Bibliográficos
Autores principales: Marenda, Mattia, Orlandini, Enzo, Micheletti, Cristian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6076300/
https://www.ncbi.nlm.nih.gov/pubmed/30076306
http://dx.doi.org/10.1038/s41467-018-05413-z