DeepDOX1: A Dual-Drive Framework Integrating Deep Learning and First-Principles Physics for Drug-Protein Affinity Prediction
Zheng Liu, Hao Sun, Yuliang Wang, Yanliang Ren, Li Rao, Zeyue Huang, Hongxuan Cao, Xiaohong Hu, Xinyue Zhu, Meng Li, Jian Wan
DeepDOX1 integrates deep learning and quantum mechanics to predict drug-protein affinity, outperforming existing models in real-world and challenging drug design scenarios.
bioRxiv · Dec 15, 2025 · PreprintBioinformatics