Nature Communications (Jan 2018)

Pathway design using de novo steps through uncharted biochemical spaces

  • Akhil Kumar,
  • Lin Wang,
  • Chiam Yu Ng,
  • Costas D. Maranas

DOI
https://doi.org/10.1038/s41467-017-02362-x
Journal volume & issue
Vol. 9, no. 1
pp. 1 – 15

Abstract

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Existing pathway design tools make use of existing reactions from databases or successively apply retrosynthetic rules. novoStoic provides an integrated optimization-based framework combining known reactions with novel steps in pathway design allowing for constraints on thermodynamic feasibility, product yield, pathway length and number of novel steps.