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New Paper in Nature Methods: “The need to implement FAIR principles in biomolecular simulations”

Over 100 researchers—led by Dr. Modesto Orozco, Co-Founder and President of Nostrum Biodiscovery, Principal Investigator of the Molecular Modeling and Bioinformatics Lab at IRB Barcelona and Full Professor at the University of Barcelona—have published an article in Nature Methods advocating for a transformative change in how molecular dynamics (MD) data is handled.

The publication highlights the need to adopt FAIR principles (Findable, Accessible, Interoperable, Reusable) to ensure that MD simulations are not only reproducible but also reusable as a rich source of insight into the dynamic behavior of biomolecules. Unlike other scientific fields where data sharing is standard practice, MD data often remains isolated and inaccessible, limiting its long-term value.

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