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.
Charmm general force field: A force field for drug-like molecules compatible with the charmm all-atom additive biological force fields,
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cs.ET 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
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.