2 citations · 5 across the 3 of their papers we have counts for
4 papers
BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
Jiaxian Yan, Jintao Zhu, Yuhang Yang +8
Protein-ligand bioactivity data published in the literature are essential for drug discovery, yet manual curation struggles to keep pace with rapidly growing literature. Automated…
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking
Jiaxian Yan, Zaixi Zhang, Jintao Zhu +3
Molecular docking, a technique for predicting ligand binding poses, is crucial in structure-based drug design for understanding protein-ligand interactions. Recent advancements in…
DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction Prediction
Haoyu Lin, Shiwei Wang, Jintao Zhu +3
Protein (receptor)--ligand interaction prediction is a critical component in computer-aided drug design, significantly influencing molecular docking and virtual screening processes…
DiffBindFR: An SE(3) Equivariant Network for Flexible Protein-Ligand Docking
Jintao Zhu, Zhonghui Gu, Jianfeng Pei +1
Molecular docking, a key technique in structure-based drug design, plays pivotal roles in protein-ligand interaction modeling, hit identification and optimization, in which accurat…