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LigPrep

Pharmarcophore screening

Screens the LiveReport ligands against a pharmacophore hypothesis.
The pharmacophore hypothesis file can be changed on the model admin page.

Compound structures from the LiveReportLiveDesignNew LiveReport column(s):- ligand in 3D3D coordinatesGenerate at most 1 formper ligandand other parametersset to defaultSDF Reader CredentialsConfiguration Upload asLiveDesign Model LigPrep Compound structures from the LiveReportLiveDesignNew LiveReport column(s):- ligand in 3D3D coordinatesGenerate at most 1 formper ligandand other parametersset to defaultSDF Reader CredentialsConfiguration Upload asLiveDesign Model LigPrep

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Download

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

Download Workflow
Created by: jcmozzic
Created at: 2020-01-31
On NodePit since: 2021-02-01
Last update: 2024-05-02
Created with KNIME version: v4.1.3
Tags: LiveDesignLigPrepPhase pharmacophore

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