BioinformaticsbioRxivPreprint
DeepDOX1: A Dual-Drive Framework Integrating Deep Learning and First-Principles Physics for Drug-Protein Affinity Prediction
Zheng Liu, Hao Sun, Yuliang Wang…·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.
DOI 10.64898/2025.12.12.693818