Filling the Missing Puzzle: Integrating Interaction and Evolutionary Information to Enhance Protein Fitness Prediction in Inverse Folding
Zhihao Wang, Zhongyang Zhang, Yanmei Yang, Yuanyuan Qu, Yuguang Mu, Sheng Wang, 韩楠玉, Liangzhen Zheng, Weifeng Li
This paper introduces zPolaron, a graph neural network for functional protein design that integrates structural, interaction, and evolutionary information, improving fitness prediction beyond structural compatibility.
bioRxiv · Oct 11, 2026 · PreprintBioinformatics