Predicting Mutation-Induced Relative Protein-Ligand Binding Affinity Changes via Conformational Sampling and Diversity Integration with Subsampled Alphafold2 in Few-Shot Learning
Liangxu Xie, Xiaohua Lu, Dawei Zhang, Lei Xu, Mingjun Yang, Young-Seob Jeong, Shan Chang, Xiaojun Xu
The paper predicts mutation-induced changes in protein-ligand binding affinity using few-shot learning with AlphaFold2 subsampling and Siamese learning, achieving improved correlation on TKI datasets.
bioRxiv · Feb 9, 2025 · PreprintBioinformatics