SpecLig: Energy-Guided Hierarchical Model for Target-Specific 3D Ligand Design
Peidong Zhang, Rong Han, Xiangzhe Kong, Ting Chen, Jianzhu Ma
SpecLig generates target-specific ligands with high affinity and specificity by integrating hierarchical modeling and energy guidance, improving therapeutic potential and reducing off-target risks.
bioRxiv · Nov 6, 2025 · PreprintBioinformatics