Integration of molecular coarse-grained model into geometric representation learning framework for protein-protein complex property prediction
Yang Yue, Shu Li, Yihua Cheng, Lie Wang, Tingjun Hou, Zexuan Zhu, Shan He
The paper introduces MCGLPPI, a geometric representation learning framework that combines graph neural networks with a molecular coarse-grained model to predict PPI properties efficiently.
Nature Communications · Nov 7, 2024Peer-reviewedBioinformatics