Non-iterative amino-acid-level quantum sampling on IBM Heron R2 predicts 5–18-residue pocket peptides with 27–71% better RMSD than AI and VQE baselines while reconstructing approximate energy landscapes.
Qdock- bank: A dataset for ligand docking on protein fragments predicted on utility-level quantum computers
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Quantum Sampling Architecture for Protein Structure Reconstruction on Utility-Scale Hardware
Non-iterative amino-acid-level quantum sampling on IBM Heron R2 predicts 5–18-residue pocket peptides with 27–71% better RMSD than AI and VQE baselines while reconstructing approximate energy landscapes.