Aug 2026
Cloud-based ligand-guided virtual screening with deep-learning-enhanced docking identifies a micromolar CXCR4 antagonist.
Overall, this end-to-end workflow efficiently compresses large libraries into a confirmed micromolar CXCR4 hit while lowering computational and infrastructure barriers for early-stage discovery.
Nonthaneth Nalinratana, Monsin Sangsawat, Kian Chee Chong et al.
· Molecular diversity · 0 citations