BioinformaticsbioRxivPreprint
Combinatorial docking and molecular generation to navigate over 100-billion molecules for prospective ligand discovery
Jianxiang Zhang, Chao Yang, Yu Zhang…·Jiankun Lyu
The paper introduces CombiDOCK and MINT-Dock to efficiently screen large molecule libraries for ligand discovery, achieving high hit rates and computational efficiency.
DOI 10.64898/2026.06.07.730716