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Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows
PLoS Computational Biology (2024) -
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pubmed: 38900779 doi: 10.1371/journal.pcbi.1012173 issn: 1553-7358
Genís Bayarri, Pau Andrio, Josep Lluís Gelpí, Adam Hospital, Modesto Orozco
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