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Article

USP-ddG: a unified structural paradigm with data efficacy and mixture-of-experts for predicting mutational effects on protein-protein interactions.

Bioinformatics (Oxford, England) - 1 Jul 2026

Yu Guanglei, Bi Xuehua, Zhao Qichang, Wang Jianxin

Abstract excerpt

MOTIVATION: Accurately estimating changes in binding free energy (ΔΔG) is critical for understanding protein-protein interactions (PPIs) and guiding rational protein design. Recent deep learning methods have achieved notable progress by pre-training on large-scale structural data. While some approaches explore structural flexibility through energy-based sampling or generative modeling, these strategies typically...

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PMID: 42412784
DOI: 10.1093/bioinformatics/btag249
PMCID: PMC13340161

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