CovSite: A High-Throughput Blind Covalent Screening Framework for Reactive Site Detection
Andrew Hu, Joe Bailey, Soren C. Spina, Gowrish Rajagopal, Nathan Phan, Blaise R. Kimmel
CovSite identifies reactive protein sites for covalent inhibitors using only structure and electrophile SMILES, achieving high accuracy and throughput.
bioRxiv · Jul 20, 2026 · PreprintBioengineering