Quantum Folding Algorithms
Compare solving methods to find the optimal ground state of the protein Hamiltonian.
Comparison Table
| Algorithm | Best For | Output Type | Scalability |
|---|---|---|---|
| VQE | Finding the single lowest-energy conformation. | Exact Coordinates | High (>15 qubits, shallow depth) |
| QAOA | Conformational sampling and energy landscapes. | Probability Distribution | Medium (Depth increases rapidly) |
Practical Recommendations
- Use VQE when: You need an exact 3D structure for molecular docking and you have sequence lengths < 8 amino acids.
- Use QAOA when: You want to explore the likelihood of alternative folds and are restricted to short sequences (< 6 amino acids).