Amaro, Rommie E;
Åqvist, Johan;
Bahar, Ivet;
Battistini, Federica;
Bellaiche, Adam;
Beltran, Daniel;
Biggin, Philip C;
... Orozco, Modesto; + view all
(2025)
The need to implement FAIR principles in biomolecular simulations.
Nature Methods
, 22
(4)
pp. 641-645.
10.1038/s41592-025-02635-0.
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Abstract
In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories should be stored under FAIR (findable, accessible, interoperable and reusable) requirements to favor its reuse by the community under an open science paradigm.
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