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P450 Site of metabolism

P450 Site of Metabolism

In this workflow P450 Site of Metabolism calculation can be set and run to evaluate a set of ligands for the likely sites of metabolism by 2D6 or 2C9 P450 isoform.

P450 Site of MetabolismIn this workflow P450 Site of Metabolism calculation can be set and run to evaluate a set of ligands for the likely sites ofmetabolism by 2D6 or 2C9 P450 isoform.LigandLigandsIsoformIsoformComplexesLog-CYPligs-out.maegzExamine resultsMolecule Reader(to MAE) ChemistryExternal Tool Run Maestro Isoform Extract Properties Run Maestro Table Viewer Molecule Writer(from MAE) Run Maestro P450 Site of MetabolismIn this workflow P450 Site of Metabolism calculation can be set and run to evaluate a set of ligands for the likely sites ofmetabolism by 2D6 or 2C9 P450 isoform.LigandLigandsIsoformIsoformComplexesLog-CYPligs-out.maegzExamine resultsMolecule Reader(to MAE) ChemistryExternal Tool Run Maestro Isoform Extract Properties Run Maestro Table Viewer Molecule Writer(from MAE) Run Maestro

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: bhola
Created at: 2018-02-14
On NodePit since: 2020-08-12
Last update: 2024-04-18
Created with KNIME version: v4.4.1
Tags: ADME

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