Interpretable antibody-antigen interaction prediction by introducing route and priors guidance
Yutian Liu, Zhiwei Nie, Jie Chen, Xinhao Zheng, Jie Fu, Zhihong Liu, Xudong Liu, Fan Xu, Xiansong Huang, Wenbin Zhang, Siwei Ma, Wen Zhu Gao, Yonghong Tian
This paper introduces S3AI, an interpretable method for predicting antibody-antigen interactions by combining structural knowledge and chemical rules, outperforming existing models and identifying key CDR regions.
bioRxiv · Mar 9, 2024 · PreprintBioinformatics