Icon

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

Nodes

Extensions

Links

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: 2024-11-21
Created with KNIME version: v4.1.3
Tags: LiveDesignLigPrepPhase pharmacophore

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!