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Journal of Chemical Information and Modeling|February 27, 2025
GLMCyp: A Deep Learning-Based Method for CYP450-Mediated Reaction Site PredictionXuhai Huang, Jiamin Chang, Boxue TianJournal of Chemical Information and Modeling|July 20, 2026
CYPMol: A Single Model Framework Integrating Functional Residues with Protein Features and Molecule Embeddings to Predict CYP Substrates, Inhibitors, and Metabolism SitesJiamin Chang, Xiaoyu Fan, Xiaochun Zhang, et al.Journal of Chemical Information and Modeling|April 8, 2024
DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular RepresentationJiamin Chang, Xiaoyu Fan, Boxue TianBriefings in Bioinformatics|January 3, 2024
Protein-DNA binding sites prediction based on pre-trained protein language model and contrastive learningYufan Liu, Boxue TianMethods in Molecular Biology (Clifton, N.J.)|July 2, 2025
CLAPE: Protein-Ligand Binding Site Prediction via Protein Language ModelsYufan Liu, Boxue TianProteins|March 5, 2011
Structural changes of Listeria monocytogenes Sortase A: a key to understanding the catalytic mechanismBoxue Tian, Leif A ErikssonJournal of Chemical Theory and Computation|May 10, 2024
PointGAT: A Quantum Chemical Property Prediction Model Integrating Graph Attention and 3D GeometryRong Zhang, Rongqing Yuan, Boxue TianJournal of Cheminformatics|November 7, 2024
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learningJue Wang, Yufan Liu, Boxue TianIscience|May 8, 2026
Predicting protein-nucleic acid interactions via protein language models with biophysical and evolutionary priorsZidong Su, Xiaochun Zhang, Boxue TianThe Journal of Physical Chemistry. B|February 5, 2011
Catalytic roles of active-site residues in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: an ONIOM/DFT studyBoxue Tian, Åke Strid, Leif A ErikssonPageof 6