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cs.ET2026
Quantum Sampling Architecture for Protein Structure Reconstruction on Utility-Scale Hardware
Yuqi Zhang, Bo Fang, Yuxin Yang +6
Predicting the structure of short peptides in protein binding pockets remains difficult because this regime requires physics-based conformational search, yet existing methods do no…
cs.ET2026
Graph-VQE: A CUDA-Q Multi-QPU Simulation Framework for Hamiltonian-Aware Protein-Folding VQE
Yujun Feng, Yuqi Zhang, Jingyi Huang +4
The Variational Quantum Eigensolver (VQE) is essential for molecular simulation in drug discovery, but hardware noise and algorithmic limits restrict its precision. While the NVIDI…
cs.ET2025
QDockBank: A Dataset for Ligand Docking on Protein Fragments Predicted on Utility-Level Quantum Computers
Yuqi Zhang, Yuxin Yang, Cheng-Chang Lu +4
Protein structure prediction is a core challenge in computational biology, particularly for fragments within ligand-binding regions, where accurate modeling is still difficult. Qua…