The Martini 3 Metabolome
Christopher Brasnett, Chelsea M. Brown, Linus Grünewald, Jan A. Stevens, Siewert J. Marrink
This paper parameterizes 186 common metabolites for the Martini 3 force field to enable realistic simulations of metabolite interactions in biological systems.
Journal of Chemical Theory and Computation · May 26, 2026Peer-reviewedBiophysics