Article
Prot-ΔΔG: Prediction of protein-protein binding affinity changes upon mutations with pre-training strategies.
Journal of computer-aided molecular design - 25 Jun 2026
Zhou Han, Wang Yuxiang, Shi Xiumin, Ma Yongfeng
Abstract excerpt
Protein-protein interactions are essential for diverse biological activities, but amino acid mutations can disrupt these interactions, leading to dysfunction and disease. Mutation impacts can be quantified via change in protein-protein binding affinity (ΔΔG) before and after mutation. Accurate prediction of ΔΔG is critical for understanding disease mechanisms, guiding drug discovery, and advancing protein...
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