Author

Lena Fraedrich

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Open access Jul 2026

Combining Stability-Centered Atomistic Design with Machine Learning for Targeted Enzyme Optimization

A machine-learning-assisted enzyme-engineering (MLEE) workflow that adds substrate-specific functional information to htFuncLib through an initial screening and sequencing round that may bypass the need for transition-state models and reduce the effort required for obtaining high-activity variants.

Li Wan, Mahdi Bagherpoor Helabad, Lena Fraedrich et al. · bioRxiv · 0 citations