ADME and molecular properties | |||
Cheminformatics | |||
Docking | |||
Docking post-processing | |||
Ligand preparation and library design | |||
Plotting | |||
Protein preparation and refinement | |||
Run on a KNIME Server | |||
Structure alignment | |||
Structure operation | |||
_Administration | |||
_Import_and_export_to_LiveDesign | |||
_Support_materials | |||
Validated_KNIME_models.pdf |
LiveDesign computational models running KNIME workflows