Pocket-based molecule generation with an SE(3)-equivariant language model leads to a potent and selective HPK1 inhibitor with in vivo efficacy
Bin Xi, Han Wang, Guocheng Sun, Bowen Zhang, Ruihan Mao, Yuyang Ge, Yang Wang, Jiangtao Zhang, Yiting Pan, Feng Zhou, Yuji Wang, Zhenming Liu, Daohua Jiang, Huting Wang, Wenbiao Zhou, Bo Huang
bioRxiv · Sep 23, 2025 · PreprintBioinformatics