4 papers
A Hybrid Quantum-AI Framework for Protein Structure Prediction on NISQ Devices
Yuqi Zhang, Yuxin Yang, Feixiong Chen +7
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landsc…
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…
A Quantum Framework for Protein Binding-Site Structure Prediction on Utility-Level Quantum Processors
Yuqi Zhang, Yuxin Yang, William Martin +8
Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional an…
Multi-view biomedical foundation models for molecule-target and property prediction
Parthasarathy Suryanarayanan, Yunguang Qiu, Shreyans Sethi +15
Quality molecular representations are key to foundation model development in bio-medical research. Previous efforts have typically focused on a single representation or molecular v…