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Works (6)

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

IEEE Transactions on Pattern Analysis and Machine Intelligence
2024-12 | Journal article
DOI: 10.1109/TPAMI.2024.3400515
Contributors: Ziduo Yang; Weihe Zhong; Qiujie Lv; Tiejun Dong; Guanxing Chen; Calvin Yu-Chian Chen
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Equivariant Flexible Modeling of the Protein–Ligand Binding Pose with Geometric Deep Learning

Journal of Chemical Theory and Computation
2023-11-28 | Journal article
DOI: 10.1021/acs.jctc.3c00273
Contributors: Tiejun Dong; Ziduo Yang; Jun Zhou; Calvin Yu-Chian Chen
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Geometric Interaction Graph Neural Network for Predicting Protein–Ligand Binding Affinities from 3D Structures (GIGN)

The Journal of Physical Chemistry Letters
2023-03-02 | Journal article
DOI: 10.1021/acs.jpclett.2c03906
Contributors: Ziduo Yang; Weihe Zhong; Qiujie Lv; Tiejun Dong; Calvin Yu-Chian Chen
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Accurate Protein-Ligand Complex Structure Prediction using Geometric Deep Learning

2022-03-21 | Preprint
DOI: 10.21203/rs.3.rs-1454132/v1
Contributors: Junfeng Zhang; Kelei He; Tiejun Dong; Jinhui wu
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E. coli Membrane Vesicles as a Catalase Carrier for Long-Term Tumor Hypoxia Relief to Enhance Radiotherapy

ACS Nano
2021-09-28 | Journal article
DOI: 10.1021/acsnano.1c07621
Contributors: Wenjing Zai; Lin Kang; Tiejun Dong; Haoran Wang; Lining Yin; Shaoju Gan; Wenjia Lai; Yibing Ding; Yiqiao Hu; Jinhui Wu
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Accurate Estimation of Solvent Accessible Surface Area for Coarse-Grained Biomolecular Structures with Deep Learning

The Journal of Physical Chemistry B
2021-08-26 | Journal article
DOI: 10.1021/acs.jpcb.1c05203
Contributors: Tiejun Dong; Tong Gong; Wenfei Li
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