Code and data for: Pentadecanoic acid, a dietary fatty acid linked to healthy ageing, replenishes mitochondrial metabolic intermediates rather than supplying extra energy: a genome-scale metabolic modelling study

This record contains the analysis code, model modifications, computed results and figures supporting the manuscript "Pentadecanoic acid, a dietary fatty acid linked to healthy ageing, replenishes mitochondrial metabolic intermediates rather than supplying extra energy: a genome-scale metabolic modelling study" (Charles C, Raymond J). Contents:- code/: Python scripts (COBRApy 0.32.1, GLPK) reproducing every result, listed in run order in README.md.- code/curation.json: the seven reaction constraints applied to Human-GEM (Table 2 of the manuscript).- results/: JSON files with all computed values reported in Tables 1–5 and Figures 2–7.- figures/: Figures 1–9 at 300 dpi (TIFF).- md_cofolding/: molecular dynamics (OpenMM) and Boltz-2 co-folding input and output files for Figures 8–9. Model: Human-GEM version 2.0.0 (SysBioChalmers/Human-GEM; SHA-256 cc5a4383c6116b0c91f4db089cc640f29aec7e840249b573b74d3792c9ca4a7a), with replication in version 2.0.1. The model itself is not redistributed and is publicly available from the SysBioChalmers/Human-GEM repository.