Oct 2026
A fine-tuning-guided virtual screening workflow identifies cell-active small-molecule hits targeting Gq-mediated signaling.
A prioritization workflow that combines target-specific fine-tuning of a pretrained drug-target interaction model, pharmacophore filtering, and structure-based docking to identify candidate Gq-modulating compounds from commercial libraries is developed.
Zi-Yang Wu, Xin Chen, Hang Su et al.
· Bioorganic chemistry (Print) · 0 citations