Workflows
What is a Workflow?Filters
CWL workflow for NMR spectra Peak Picking The workflow takes as input a series of 2D 1H 15N HSQC NMR spectra and uses nmrpipe tools to convert the spectra in nmrpipe format and performs an automatic peak picking. This test uses a protein MDM2 with different ligands and peptide and generates a peak list with 1H and 15N chemical shift values for each spectrum. The difference among these peak lists can be used to characterize the ligand binding site on the protein.
The workflow runs the RetroSynthesis algorithm to generate a collection of heterologous pathways in a host organism of choice, converts them to SBML files, performs analysis on the pathways to then rank the theoretical best performing ones.
Generate possible metabolic routes for the production of a target molecule in an organism of choice
This workflow converts the top-ranking predicted pathways from the "RetroSynthesis" and "Pathway Analysis" workflows to plasmids intended to be expressed in the specified organism
Given a set of pathways generated by RetroPath2.0, this workflow informs the user as to the theoretically best performing ones based on four criteria: FBA, thermodynamic feasibility, length of the pathway, and reaction rule score.