Rapidly and easily dock your ligands from a choice of different experiments
Flare™ Docking uses Lead Finder™ to provide you with detailed feedback on your new molecule designs, high enrichments in virtual screening and excellent pose prediction.
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.
Request recording of webinar 'Streamline the design of covalent inhibitors'
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 of a covalent inhibitor targeting Tyrosine, displayed with Electrostatic Complementary™ surface of PDB 4QDE
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.
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