Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows
PLoS Computational Biology (2024) - Comments
pubmed: 38900779  doi: 10.1371/journal.pcbi.1012173  issn: 1553-7358 

Genís Bayarri, Pau Andrio, Josep Lluís Gelpí, Adam Hospital, Modesto Orozco