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.

This work is the result of a collaborative effort among several researchers, more thna 100 experts in molecular simulation, including Prof. Sílvia Osuna, an ICREA researcher at the IQCC-University of Girona.

It has been recently published in Nature Methods:

Adam Hospital*, Javier Iglesias-Fernández, Sílvia Osuna, Modesto Orozco* et al.
The need to implement FAIR principles in biomolecular simulations
Nat. Methods, 2025, 22, 641-645.
DOI: 10.1038/s41592-025-02635-0

Girona, May 5th, 2025
For more info: ges.iqcc@udg.edu