AIMC Topic: Protein Engineering

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Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the S2 Step.

Journal of the American Chemical Society
Generative artificial intelligence (AI) models trained on natural protein sequences have been used to design functional enzymes. However, their ability to predict individual reaction steps in enzyme catalysis remains unclear, limiting the potential u...

Data and AI-driven synthetic binding protein discovery.

Trends in pharmacological sciences
Synthetic binding proteins (SBPs) are a class of protein binders that are artificially created and do not exist naturally. Their broad applications in tackling challenges of research, diagnostics, and therapeutics have garnered significant interest. ...

LevSeq: Rapid Generation of Sequence-Function Data for Directed Evolution and Machine Learning.

ACS synthetic biology
Sequence-function data provides valuable information about the protein functional landscape but is rarely obtained during directed evolution campaigns. Here, we present Long-read every variant Sequencing (LevSeq), a pipeline that combines a dual barc...

A synthetic protein-level neural network in mammalian cells.

Science (New York, N.Y.)
Artificial neural networks provide a powerful paradigm for nonbiological information processing. To understand whether similar principles could enable computation within living cells, we combined de novo-designed protein heterodimers and engineered v...

Interpretable and explainable predictive machine learning models for data-driven protein engineering.

Biotechnology advances
Protein engineering through directed evolution and (semi)rational design has become a powerful approach for optimizing and enhancing proteins with desired properties. The integration of artificial intelligence methods has further accelerated protein ...

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
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 evolutio...

Deep learning for NAD/NADP cofactor prediction and engineering using transformer attention analysis in enzymes.

Metabolic engineering
Understanding and manipulating the cofactor preferences of NAD(P)-dependent oxidoreductases, the most widely distributed enzyme group in nature, is increasingly crucial in bioengineering. However, large-scale identification of the cofactor preference...

Exploring the potential of structure-based deep learning approaches for T cell receptor design.

PLoS computational biology
Deep learning methods, trained on the increasing set of available protein 3D structures and sequences, have substantially impacted the protein modeling and design field. These advancements have facilitated the creation of novel proteins, or the optim...

Revolutionizing Molecular Design for Innovative Therapeutic Applications through Artificial Intelligence.

Molecules (Basel, Switzerland)
The field of computational protein engineering has been transformed by recent advancements in machine learning, artificial intelligence, and molecular modeling, enabling the design of proteins with unprecedented precision and functionality. Computati...

On synergy between ultrahigh throughput screening and machine learning in biocatalyst engineering.

Faraday discussions
Protein design and directed evolution have separately contributed enormously to protein engineering. Without being mutually exclusive, the former relies on computation from first principles, while the latter is a combinatorial approach based on chanc...