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Docking - on KNIME server

Run docking on a KNIME server

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

Predictions InputGenenrate 3D coordinatesP38 MAPK (1bl7)%file%SPInspect the poses HTVSExtra rows Node 9695P38 MAPK (1bl7)%file%Node 9697ContainerInput (Table) ContainerOutput (Table) CSV Writer Column Filter SDF Reader LigPrep Glide Grid Reader Glide LigandDocking Run Maestro MAE-to-SD Glide LigandDocking Cross Joiner Row Filter Glide Grid Reader Table Validator Predictions InputGenenrate 3D coordinatesP38 MAPK (1bl7)%file%SPInspect the poses HTVSExtra rows Node 9695P38 MAPK (1bl7)%file%Node 9697ContainerInput (Table) ContainerOutput (Table) CSV Writer Column Filter SDF Reader LigPrep Glide Grid Reader Glide LigandDocking Run Maestro MAE-to-SD Glide LigandDocking Cross Joiner Row Filter Glide Grid Reader Table Validator

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