Opportunities and challenges for machine learning-assisted enzyme engineering

J Yang, FZ Li, FH Arnold - ACS Central Science, 2024 - ACS Publications
Enzymes can be engineered at the level of their amino acid sequences to optimize key
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …

Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models

Y Qiu, GW Wei - Briefings in bioinformatics, 2023 - academic.oup.com
Protein engineering is an emerging field in biotechnology that has the potential to
revolutionize various areas, such as antibody design, drug discovery, food security, ecology …

Self-play reinforcement learning guides protein engineering

Y Wang, H Tang, L Huang, L Pan, L Yang… - Nature Machine …, 2023 - nature.com
Designing protein sequences towards desired properties is a fundamental goal of protein
engineering, with applications in drug discovery and enzymatic engineering. Machine …

xTrimoPGLM: unified 100B-scale pre-trained transformer for deciphering the language of protein

B Chen, X Cheng, P Li, Y Geng, J Gong, S Li… - arXiv preprint arXiv …, 2024 - arxiv.org
Protein language models have shown remarkable success in learning biological information
from protein sequences. However, most existing models are limited by either autoencoding …

A combinatorially complete epistatic fitness landscape in an enzyme active site

KE Johnston, PJ Almhjell, EJ Watkins-Dulaney… - Proceedings of the …, 2024 - pnas.org
Protein engineering often targets binding pockets or active sites which are enriched in
epistasis—nonadditive interactions between amino acid substitutions—and where the …

Machine learning to navigate fitness landscapes for protein engineering

CR Freschlin, SA Fahlberg, PA Romero - Current opinion in biotechnology, 2022 - Elsevier
Machine learning (ML) is revolutionizing our ability to understand and predict the complex
relationships between protein sequence, structure, and function. Predictive sequence …

Persistent spectral theory-guided protein engineering

Y Qiu, GW Wei - Nature computational science, 2023 - nature.com
Although protein engineering, which iteratively optimizes protein fitness by screening the
gigantic mutational space, is constrained by experimental capacity, various machine …

Building enzymes through design and evolution

EJ Hossack, FJ Hardy, AP Green - ACS Catalysis, 2023 - ACS Publications
Designing efficient enzymes is a formidable challenge at the forefront of modern
biocatalysis. Here, we review recent developments in the field and illustrate how the …

Protein engineering via Bayesian optimization-guided evolutionary algorithm and robotic experiments

R Hu, L Fu, Y Chen, J Chen, Y Qiao… - Briefings in …, 2023 - academic.oup.com
Directed protein evolution applies repeated rounds of genetic mutagenesis and phenotypic
screening and is often limited by experimental throughput. Through in silico prioritization of …

Engineering enzymes for environmental sustainability

E Radley, J Davidson, J Foster… - Angewandte Chemie …, 2023 - Wiley Online Library
The development and implementation of sustainable catalytic technologies is key to
delivering our net‐zero targets. Here we review how engineered enzymes, with a focus on …