reviewACS CatalysisOct 13, 2023HYBRID OA

Machine Learning-Guided Protein Engineering

PKPetr KoubaPKPavel KohoutFHFaraneh HaddadiABAnton BushuievRSRaman Samusevich

Masaryk University · Czech Technical University in Prague · +3 more institutions

PubMed
Indexed incrossrefpubmed

Abstract

Recent progress in engineering highly promising biocatalysts has increasingly involved machine learning methods. These methods leverage existing experimental and simulation data to aid in the discovery and annotation of promising enzymes, as well as in suggesting beneficial mutations for improving known targets. The field of machine learning for protein engineering is gathering steam, driven by recent success stories and notable progress in other areas. It already encompasses ambitious tasks such as understanding and predicting protein structure and function, catalytic efficiency, enantioselectivity, protein dynamics, stability, solubility, aggregation, and more. Nonetheless, the field is still evolving, with…

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Topics & keywords

Topics
Keywords
  • Computer science
  • Leverage (statistics)
  • Data science
  • Field (mathematics)
  • Artificial intelligence
  • Function (biology)
  • Management science
  • Machine learning
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