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Docking - on Server

Run docking on a KNIME server

Docking to be run on a KNIME server.
[Requires: LigPrep, Glide]

InputGenerate 3D coordinatesP38 MAPK (1bl7)%file%SPInspect the poses ContainerInput (Table) ContainerOutput (Table) Column Filter SDF Reader LigPrep Glide Grid Reader Glide LigandDocking Run Maestro MAE-to-SD InputGenerate 3D coordinatesP38 MAPK (1bl7)%file%SPInspect the poses ContainerInput (Table) ContainerOutput (Table) Column Filter SDF Reader LigPrep Glide Grid Reader Glide LigandDocking Run Maestro MAE-to-SD

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: kuppuraj
Created at: 2019-05-20
On NodePit since: 2022-03-23
Last update: 2024-12-17
Created with KNIME version: v4.4.1
Tags: LigPrepLive DesignGlide

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