Huifeng Zhao

Learning on topological surface and geometric structure for 3D molecular generation

Odin Zhang, Tianyue Wang, Gaoqi Weng et al. · Nature Computational Science · 2023 · 56 citations

Geometric Modeling, Engineering, Physics +12

Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites

Xiaorui Wang, Xiaodan Yin, Dejun Jiang et al. · Nature Communications · 2024 · 34 citations · Full text

How Good Are Current Docking Programs at Nucleic Acid–Ligand Docking? A Comprehensive Evaluation

Dejun Jiang, Huifeng Zhao, Hongyan Du et al. · Journal of Chemical Theory and Computation · 2023 · 32 citations

Leveraging language model for advanced multiproperty molecular optimization via prompt engineering

Zhenxing Wu, Odin Zhang, Xiaorui Wang et al. · Nature Machine Intelligence · 2024 · 30 citations

Engineering, Prompt Engineering, Computational Biology +7

Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA–ligand complexes

Dejun Jiang, Hongyan Du, Huifeng Zhao et al. · Physical Chemistry Chemical Physics · 2024 · 22 citations