Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows

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Authors: Bayarri, Genís; Andrio, Pau; Gelpi, Josep; Hospital, Adam; Orozco, Modesto

Journal title: PLOS Computational Biology

Journal publisher: Public Library of Science (PLoS)

Published year: 2024

DOI identifier: 10.1371/JOURNAL.PCBI.1012173

ISSN: 1553-7358