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Martini 3 Metabolome

Christopher Brasnett1, Chelsea M Brown1, Linus Grünewald1

  • 1Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, 9747 AG Groningen, The Netherlands.

Journal of Chemical Theory and Computation
|May 26, 2026
PubMed
Summary

This study introduces parameters for 186 common metabolites in the Martini 3 force field, enabling realistic simulations of cellular environments. This "Martini metabolome" facilitates high-throughput studies of metabolite interactions and cellular processes.

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