Interface-aware molecular generative framework for protein-protein interaction modulators
Jianmin Wang, Jiashun Mao, Chunyan Li, Hongxin Xiang, Xun Wang, Shuang Wang, Zixu Wang, Yangyang Chen, Yuquan Li, Kyoung Tai No, Tao Song, Xiangxiang Zeng
This paper introduces GENiPPI, a molecular generative framework for PPI interfaces, which generates novel compounds targeting PPIs and demonstrates its effectiveness in capturing interface-molecule relationships.
Journal of Cheminformatics · Dec 20, 2024Peer-reviewedBioinformatics