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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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Bibliografiske detaljer
Udgivet i:Nat Commun
Main Authors: Marenda, Mattia, Orlandini, Enzo, Micheletti, Cristian
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2018
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6076300/
https://ncbi.nlm.nih.gov/pubmed/30076306
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-018-05413-z
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