Virtual Screening

This category contains 9 nodes.

3D Coordinates Generator 

This node generates 3D coordinates for molecules.

3D Ensemble Conformator 

This node generates 3D conformations for molecules.

Affinity Calculator (HYDE) 

This node assesses the affinity of protein-ligand complexes with HYDE.

Affinity Calculator (HYDE) Deprecated

This node assesses the affinity of protein-ligand complexes with Hyde in SeeSAR.

Docking (FlexX) 

This node docks or optionally overlays onto a given template.

Molecule Aligner (FlexS) 

This node performs FlexS 3D Alignments.

Molecule Converter (Naomi) 

A node to convert molecules from and to different file formats.

Molecule Filter (Naomi) 

This node filters molecules using many different properties.

Tautomer Generator (Naomi) 

This node generates tautomers and protomers for a set of given molecules.