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Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c00049
Abstract: The pathway for supramolecular fiber formation is coupled with the underlying order of the self-assembling molecules. Here, we report on atomistic molecular dynamics simulations to characterize the initial stages of the self-assembly of a model…
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Keywords:
supramolecular fibers;
exploration nucleation;
nucleation pathway;
pathway supramolecular ... See more keywords