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The Subliminal Toolbox: automating steps in the reconstruction of metabolic networks  Neil Swainston Manchester Centre for Integrative Systems Biology 1st Conference on Constraint-based Reconstruction and Analysis Reykjavik, Iceland 24 June2011
Automation ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Model annotations ,[object Object],[object Object],[object Object],[object Object],[object Object]
Publicly available resources Formula, Charge, Structure GPR relationships Compartment data Sequence, Metadata Web services
Subliminal Toolbox
Protonate ,[object Object],[object Object],[object Object],[object Object],[object Object],✓ ✗
Balance ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Balance carbon dioxide + 2-Acetolacetate    Pyruvate Ab = 0 A = b represents a vector of stoichiometries CO 2  + C 5 H 7 O 4 -      C 3 H 3 O 3 - Reactants Products Optional reactants Optional products CO2 C5H7O4 C3H3O3 H+ H20 H+ H20 CO2 C 1 5 -3 0 0 0 0 -1 O 2 4 -3 0 1 0 -1 -2 H 0 7 -3 1 2 -1 -2 0 charge 0 -1 1 1 0 -1 0 0 b min T 1 1 1 0 0 0 0 0
Balance ,[object Object],carbon dioxide + 2-Acetolacetate     2   Pyruvate +  H + CO 2  + C 5 H 7 O 4 -      2   C 3 H 3 O 3 -  +  H + Reactants Products Optional reactants Optional products CO2 C5H7O4 C3H3O3 H+ H20 H+ H20 CO2 C 1 5 -3 0 0 0 0 -1 O 2 4 -3 0 1 0 -1 -2 H 0 7 -3 1 2 -1 -2 0 charge 0 -1 1 1 0 -1 0 0 b min T 1 1 1 0 0 0 0 0 b T 1 1 2 0 0 1 0 0
Merge ,[object Object],[object Object],[object Object],[object Object],[object Object]
“ Fuzzy ”  Merge ,[object Object],[object Object],beta-D-glucose D-glucose
“ Fuzzy ”  Merge ,[object Object],[object Object]
Compartment ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Transporters and biomass ,[object Object],[object Object],[object Object],[object Object],[object Object]
Shorthand Converted to  SBML, protonated, balanced  and  merged  as before
Usage and availability ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Thanks…
The Subliminal Toolbox: automating steps in the reconstruction of metabolic networks  Neil Swainston Manchester Centre for Integrative Systems Biology 1st Conference on Constraint-based Reconstruction and Analysis Reykjavik, Iceland 24 June 2011
UniProt compartmentalisation
UniProt compartmentalisation UniProt curated information
PSORT compartmentalisation
PSORT compartmentalisation WoLF PSORT prediction

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The Subliminal Toolbox: automating steps in the reconstruction of metabolic networks