Tiejun Dong

Geometric Interaction Graph Neural Network for Predicting Protein–Ligand Binding Affinities from 3D Structures (GIGN)

Ziduo Yang, Weihe Zhong, Qiujie Lv et al. · The Journal of Physical Chemistry Letters · 2023 · 94 citations

Engineering, Machine Learning, Molecular Biology +16

<i>E. coli</i> Membrane Vesicles as a Catalase Carrier for Long-Term Tumor Hypoxia Relief to Enhance Radiotherapy

Wenjing Zai, Lin Kang, Tiejun Dong et al. · ACS Nano · 2021 · 90 citations

Huanglian-Wendan Decoction Inhibits NF-<i>κ</i>B/NLRP3 Inflammasome Activation in Liver and Brain of Rats Exposed to Chronic Unpredictable Mild Stress

Keke Jia, Hong Ding, Hanwen Yu et al. · Mediators of Inflammation · 2018 · 39 citations · Full text

Equivariant Flexible Modeling of the Protein–Ligand Binding Pose with Geometric Deep Learning

Tiejun Dong, Ziduo Yang, Jun Zhou et al. · Journal of Chemical Theory and Computation · 2023 · 33 citations

Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures

Ziduo Yang, Weihe Zhong, Qiujie Lv et al. · IEEE Transactions on Pattern Analysis and Machine Intelligence · 2024 · 30 citations