Accurate sequence-to-affinity models for SH2 domains from multi-round peptide binding assays coupled with free-energy regression
Dejan Gagoski, H. Tomas Rube, Chaitanya Rastogi, Lucas A. N. Melo, Xiaoting Li, Rashmi Voleti, Neel H. Shah, Harmen J. Bussemaker
The paper develops a sequence-to-affinity model for SH2 domains using multi-round peptide binding assays and free-energy regression to predict binding specificity and variant effects.
bioRxiv · Dec 23, 2024 · PreprintSystems Biology