Code repository for simulating the leucine systems model and reproducing key figures used for the publication A Quantitative Systems Pharmacology Model for Human Leucine Metabolism:

• bin/main.jl: Simulates healthy, human virtual population ("Primary" VPop) and plots against avialaible clinical infusion (Fig. 3) and oral administration (Fig. 4) data. Also, simulates a "Null Model" VPop trained without the regulatory feedback effect on uptake and a "Hypothesis #2" VPop with a regulatory feedback effect on export instead to suggest that the maximal reductions observed in a pre-clinical study of BDK inhibition are only possible with the "Primary" VPop (Fig. 5).

Key additional files:

• src/assets/load_data.jl: Load available clinical data (that were incorporated into the score function to create the VPops).
• src/assets/model.jl: Leucine systems model equations (ODEs).
• src/assets/score_model_ind_trials.jl: Functions to simulate each experiment with available clinical data (that were incorporated into the score function to create the VPop(s)).
• src/assets/params.jl: Handle parameters, ICs for virtual patients.
• data/: Includes .csv files loaded in (used by load_data.jl) and the VPop parameter sets as .h5 files.
• bin/gsa_ss.jl: Performs a GSA using the Sobol method to examine the global sensitivity of parameters on plasma steady states for leucine and KIC.