A divide-and-conquer heuristic enables solving MWIS instances from molecular docking with graphs of 225-585 vertices on neutral-atom quantum emulators, outperforming greedy baselines and recovering provably optimal solutions on some instances.
Specifically, a ver- tex v corresponds to the pairing of a ligand phar- macophore l with a protein pharmacophorep
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A Scalable Heuristic for Molecular Docking on Neutral-Atom Quantum Processors
A divide-and-conquer heuristic enables solving MWIS instances from molecular docking with graphs of 225-585 vertices on neutral-atom quantum emulators, outperforming greedy baselines and recovering provably optimal solutions on some instances.