6 citations · 12 across the 6 of their papers we have counts for
7 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…
Re3: Learning to Balance Relevance & Recency for Temporal Information Retrieval
Jiawei Cao, Jie Ouyang, Zhaomeng Zhou +4
Temporal Information Retrieval (TIR) is a critical yet unresolved task for modern search systems, retrieving documents that not only satisfy a query's information need but also adh…
GraphPrompter: Multi-stage Adaptive Prompt Optimization for Graph In-Context Learning
Rui Lv, Zaixi Zhang, Kai Zhang +6
Graph In-Context Learning, with the ability to adapt pre-trained graph models to novel and diverse downstream graphs without updating any parameters, has gained much attention in t…
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…
Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking
Jiaxian Yan, Zaixi Zhang, Kai Zhang +1
Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs…
Geometric Deep Learning for Structure-Based Drug Design: A Survey
Zaixi Zhang, Jiaxian Yan, Yining Huang +4
Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical mod…
Multi-task Bioassay Pre-training for Protein-ligand Binding Affinity Prediction
Jiaxian Yan, Zhaofeng Ye, Ziyi Yang +4
Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating…