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Machine Learning Guided Rational Design of a Non-Heme Iron-Based Lysine Dioxygenase Improves its Total Turnover Number.

Chembiochem : a European journal of chemical biology - 16 Dec 2024

Hunter Wilson R, Diaz Daniel J, Damodaran Anoop R, Bhagi-Damodaran Ambika

Abstract excerpt

Highly selective C-H functionalization remains an ongoing challenge in organic synthetic methodologies. Biocatalysts are robust tools for achieving these difficult chemical transformations. Biocatalyst engineering has often required directed evolution or structure-based rational design campaigns to improve their activities. In recent years, machine learning has been integrated into these workflows to improve the...

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PMID: 39370399
DOI: 10.1002/cbic.202400495
PMCID: PMC11664912

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