Rapidly and easily dock your ligands from a choice of different experiments
Use Flare Docking to tackle the flexibility of the protein active site with ensemble docking run on multiple protein conformations, and easily predict the binding pose and interactions of covalent inhibitors choosing your preferred covalent warhead.
Multiple analogues of the crystallographic ligand in PDB:1OIT docked into the protein's active site. The surface of the 1OIT active site is colored by electrostatic potential (red = positive, blue = negative).
Docking to multiple protein structures in a single experiment with concatenated results, displayed with the electrostatic surface of PDB 5HLW. Available for non-covalent and covalent ligands.