Machine learning-guided protein engineering

P Kouba, P Kohout, F Haddadi, A Bushuiev… - ACS …, 2023 - ACS Publications
Recent progress in engineering highly promising biocatalysts has increasingly involved
machine learning methods. These methods leverage existing experimental and simulation …

Machine learning-enabled retrobiosynthesis of molecules

T Yu, AG Boob, MJ Volk, X Liu, H Cui, H Zhao - Nature Catalysis, 2023 - nature.com
Retrobiosynthesis provides an effective and sustainable approach to producing functional
molecules. The past few decades have witnessed a rapid expansion of biosynthetic …

Bio-inspired design of an in situ multifunctional polymeric solid–electrolyte interphase for Zn metal anode cycling at 30 mA cm− 2 and 30 mA h cm− 2

X Zeng, K Xie, S Liu, S Zhang, J Hao, J Liu… - Energy & …, 2021 - pubs.rsc.org
A solid–electrolyte interphase (SEI) is highly desirable to restrain Zn dendrite growth and
side reactions between a Zn anode and water in rechargeable aqueous zinc-ion batteries …

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 …

[HTML][HTML] Evolutionary velocity with protein language models predicts evolutionary dynamics of diverse proteins

BL Hie, KK Yang, PS Kim - Cell Systems, 2022 - cell.com
The degree to which evolution is predictable is a fundamental question in biology. Previous
attempts to predict the evolution of protein sequences have been limited to specific proteins …

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 …

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 …

Priority and prospect of sulfide‐based solid‐electrolyte membrane

H Liu, Y Liang, C Wang, D Li, X Yan… - Advanced …, 2023 - Wiley Online Library
All‐solid‐state lithium batteries (ASSLBs) employing sulfide solid electrolytes (SEs) promise
sustainable energy storage systems with energy‐dense integration and critical intrinsic …

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 …