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Arxiv|July 29, 2026
Learning Mechanistic Reasoning for Chemical Reactions with Large Language ModelsXingyu Dang, Haocheng Tang, Junmei Wang, et al.Arxiv|May 4, 2026
Fine-tuning DeepSeek-OCR-2 for Molecular Structure RecognitionHaocheng Tang, Xingyu Dang, Junmei WangProceedings of the National Academy of Sciences of the United States of America|October 30, 2025
Accurate site-specific folding via conditional diffusion based on AlphaFold3Haocheng Tang, Junmei WangBiorxiv : the Preprint Server for Biology|July 17, 2025
Accurate Site-specific Folding via Conditional Diffusion Based on Alphafold3Haocheng Tang, Junmei WangArxiv|September 18, 2025
Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule GenerationHaocheng Tang, Jing Long, Beihong Ji, et al.Journal of Chemical Information and Modeling|December 22, 2025
A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein-Ligand Binding Pose and Affinity Prediction in Coronavirus Main ProteasesYue Liu, Haocheng Tang, Taoyu Niu, et al.Journal of Chemical Information and Modeling|September 22, 2025
Auxiliary Discrminator Sequence Generative Adversarial Networks for Few Sample Molecule GenerationHaocheng Tang, Jing Long, Beihong Ji, et al.Nature Communications|May 13, 2026
Multiscale machine learning molecular mechanics for mechanism and stereoselectivity of Diels-Alderase catalysisXujian Wang, Haocheng Tang, Xiongwu Wu, et al.Briefings in Bioinformatics|May 15, 2025
NNKcat: deep neural network to predict catalytic constants (Kcat) by integrating protein sequence and substrate structure with enhanced data imbalance handlingJingchen Zhai, Xiguang Qi, Lianjin Cai, et al.Research Square|December 8, 2025
Redefining Computational Enzymology with Multiscale Machine Learning/Molecular Mechanics: Catalytic Mechanism and Stereoselectivity in Diels-AlderasesXujian Wang, Haocheng Tang, Xiongwu Wu, et al.Pageof 115