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.
Analogues of the crystallographic ligand shown docked to the 1OIT active site shown with protein electrostatic surface
Docking setup of multiple analogues to a single protein, displayed with a hydrophobicity surface
Docking to multiple protein structures in a single experiment with concatenated results, displayed with the electrostatic surface of PDB 5HLW
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