Software

Metabolic modeling

• ModeScore. Available on request.
• FASIMU: Flux-balance Analysis based SIMUlations

Molecular modeling

• NeedleHaystack: Rapid molecular superpostion
• 3DS: GNU-C programming library and main programs for efficient computational geometry for molecular data. Available on request.
• Moltools: Infrastructure for geometry-based drug-design and modeling. Available on request.