A novel QUBO formulation for quantum-annealer molecular docking adds physicochemical interaction terms to a prior geometric subgraph-isomorphism approach and reports improved accuracy on D-Wave devices.
Molecular docking with gaussian boson sampling,
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A Physically-Informed Subgraph Isomorphism Approach to Molecular Docking Using Quantum Annealers
A novel QUBO formulation for quantum-annealer molecular docking adds physicochemical interaction terms to a prior geometric subgraph-isomorphism approach and reports improved accuracy on D-Wave devices.