Concepedia

The need to implement FAIR principles in biomolecular simulations

Rommie E. Amaro, Johan Åqvist, İvet Bahar, Federica Battistini, Adam Bellaiche, Daniel Beltrán, Philip C. Biggin, Massimiliano Bonomi, Gregory R. Bowman, Richard A. Bryce,

Nature Methods · 2025 · 56 citations · 11 references

DOIFull text

Open access

Concepts

References

11

The FAIR Guiding Principles for scientific data management and stewardship

Mark D. Wilkinson, Michel Dumontier, IJsbrand Jan Aalbersberg et al. · Scientific Data · 2016 · 17.8K citations · Full text

, , +17

Dynamics of folded proteins

J. Andrew McCammon, Bruce R. Gelin, Martin Karplus · Nature · 1977 · 2K citations

, , +12

Protein Data Bank: the single global archive for 3D macromolecular structure data

S.K. Burley, Helen M. Berman, Charmi Bhikadiya et al. · Nucleic Acids Research · 2018 · 1.2K citations · Full text

, , +13

PDBe-KB: a community-driven resource for structural and functional annotations

Mihály Váradi, John M. Berrisford, Mandar Deshpande et al. · Nucleic Acids Research · 2019 · 137 citations · Full text

, , +15

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns et al. · The International Journal of High Performance Computing Applications · 2022 · 98 citations · Full text

, , +16