Luyuan Zhao
University of Science and Technology of China(CN)Hefei National Center for Physical Sciences at Nanoscale(CN)
Publications by Year
Research Areas
Protein Structure and Dynamics, Machine Learning in Materials Science, Catalytic Processes in Materials Science, Computational Drug Discovery Methods, Electrocatalysts for Energy Conversion
Most-Cited Works
- → Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist(2023)109 cited
- → Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors(2021)38 cited
- → A Machine-Learning Protocol for Ultraviolet Protein-Backbone Absorption Spectroscopy under Environmental Fluctuations(2021)26 cited
- → Global Fold Switching of the RafH Protein: Diverse Structures with a Conserved Pathway(2022)7 cited
- → Spectra-descriptor-based machine learning for predicting protein–ligand interactions(2025)4 cited
- → Machine Learning-Based Multispectral Fusion for Analyzing Molecular Structural Features(2025)2 cited
- → Pose Estimation of Instruments for Automatic Chemical Laboratories Using Multi-Level Template Matching(2024)1 cited
- → A Practical Inverse Design Approach for High-Entropy Catalysts with Generative AI(2025)
- → Automated and Intelligent Synthesis of Oxygen-Producing Catalysts from Martian Meteorites by Robotic AI-Chemist(2023)