Interactions

Dockey use PLIP to analyze interactions between ligand and receptor. PLIP can detect Hydrophobic Interactions, Hydrogen Bonds, π-Stacking, π-Cation Interactions, Salt Bridges, Water Bridges, Halogen Bonds, Metal Complexes.

Go to Best pose table or Job pose table, click one docked pose in table to view interactions in interaction tables.

You can click different tabs to view corresponding interactions.

The meaning of table header for each interaction type can be found in https://github.com/pharmai/plip/blob/master/DOCUMENTATION.md#interactions-1.

You can click a row in interaction table to view 3D structure of interactions in PyMOL view.

The legend of PyMOL visualization can be found in https://github.com/pharmai/plip/blob/master/DOCUMENTATION.md#legend-for-pymol-visualization.