Article

Data-efficient protein mutational effect prediction with weak supervision by molecular simulation and protein language models

2025-04-14

Abstract excerpt

Machine learning-based protein mutational effect prediction is widely used in protein engineering and pathogenicity prediction, but training data scarcity remains a major challenge due to high costs of experimental measurements. A previous study proposed data augmentation using computational estimates by molecular simulation. However, this approach has been limited to predicting mutational effects on thermostabili...

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Literature Corpus work: d0716057-d099-5d58-8f10-76a95ce29366
DOI: 10.1101/2025.04.08.647800

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