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Journal of Computational Chemistry|April 11, 2018
TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubilityKedi Wu, Zhixiong Zhao, Renxiao Wang, et al.Journal of Chemical Information and Modeling|June 13, 2020
Decoding SARS-CoV-2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and MedicineRui Wang, Yuta Hozumi, Changchuan Yin, et al.Current Opinion in Structural Biology|November 29, 2025
Recent advances in machine learning predictions of protein-ligand binding affinitiesJian Jiang, Daixin Li, Guilin Wang, et al.Journal of Computational Biophysics and Chemistry|September 29, 2025
Mayer-Homology Learning Prediction of Protein-Ligand Binding AffinitiesHongsong Feng, Li Shen, Jian Liu, et al.Communications Biology|May 18, 2023
SVSBI: sequence-based virtual screening of biomolecular interactionsLi Shen, Hongsong Feng, Yuchi Qiu, et al.Biorxiv : the Preprint Server for Biology|April 21, 2021
Revealing the threat of emerging SARS-CoV-2 mutations to antibody therapiesJiahui Chen, Kaifu Gao, Rui Wang, et al.Journal of Materials Chemistry. A|June 16, 2025
Enhancing energy predictions in multi-atom systems with multiscale topological learningDong Chen, Rui Wang, Guo-Wei Wei, et al.Computers in Biology and Medicine|March 1, 2021
UMAP-assisted K-means clustering of large-scale SARS-CoV-2 mutation datasetsYuta Hozumi, Rui Wang, Changchuan Yin, et al.Arxiv|February 20, 2025
Artificial Intelligence Approaches for Anti-Addiction Drug DiscoveryDong Chen, Jian Jiang, Zhe Su, et al.The Journal of Physical Chemistry Letters|November 9, 2021
Proteome-Informed Machine Learning Studies of Cocaine AddictionKaifu Gao, Dong Chen, Alfred J Robison, et al.Pageof 27