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The need to implement FAIR principles in biomolecular simulations

Amaro, R.E. ; Kamerlin, S.C.L. LU orcid and Orozco, M. (2025) In Nature Methods 22(4). p.641-645
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. © The Author(s), under exclusive licence to Springer Nature America, Inc. 2025.
Please use this url to cite or link to this publication:
author
; and
author collaboration
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
big data, FAIR principles, human, molecular dynamics, nonhuman, note, simulation, article
in
Nature Methods
volume
22
issue
4
pages
5 pages
publisher
Nature Publishing Group
external identifiers
  • scopus:105001997599
  • pmid:40175561
ISSN
1548-7091
DOI
10.1038/s41592-025-02635-0
language
English
LU publication?
yes
id
e65a97bb-ad58-473d-87f9-5945b9baf6d1
date added to LUP
2026-03-05 10:48:48
date last changed
2026-03-06 03:52:41
@article{e65a97bb-ad58-473d-87f9-5945b9baf6d1,
  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. © The Author(s), under exclusive licence to Springer Nature America, Inc. 2025.}},
  author       = {{Amaro, R.E. and Kamerlin, S.C.L. and Orozco, M.}},
  issn         = {{1548-7091}},
  keywords     = {{big data; FAIR principles; human; molecular dynamics; nonhuman; note; simulation; article}},
  language     = {{eng}},
  number       = {{4}},
  pages        = {{641--645}},
  publisher    = {{Nature Publishing Group}},
  series       = {{Nature Methods}},
  title        = {{The need to implement FAIR principles in biomolecular simulations}},
  url          = {{http://dx.doi.org/10.1038/s41592-025-02635-0}},
  doi          = {{10.1038/s41592-025-02635-0}},
  volume       = {{22}},
  year         = {{2025}},
}