This section allows users to filter, in a fast and automatic way, all ligands that fit into a chosen interaction combination.

Residues combination filtering

This feature allows users to filter ligands according to a set of combinations of N residues.

Users start informing a list of residues and the number of elements in each combination. So, nAPOLI generates a set of combinations of N residues. Subsequently, for each combination, nAPOLI searches for all ligands that interacts with all residues in a combination.

Residue list input: users can inform the residues to be used in the combination generator.

Selector of the number of elements: users can select the number of elements in each combination.

Action button: this button provides users an option to view or download the data displayed in the table.

Interaction types filtering

This feature allows users to filter ligands according to a specific combination of residues and interacitons.

Users start informing a list of residues and an interaction type for each residue. So, nAPOLI searches for all ligands that interacts with the defined residues throught the specified interaction.

Add button: by clicking on this button, one more Residue field and Interaction type selector will be added to the panel.

Remove button: by clicking on this button, one Residue field and Interaction type selector will be removed from the panel.