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 …

Computational and artificial intelligence-based methods for antibody development

J Kim, M McFee, Q Fang, O Abdin, PM Kim - Trends in pharmacological …, 2023 - cell.com
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …

Efficient evolution of human antibodies from general protein language models

BL Hie, VR Shanker, D Xu, TUJ Bruun… - Nature …, 2024 - nature.com
Natural evolution must explore a vast landscape of possible sequences for desirable yet
rare mutations, suggesting that learning from natural evolutionary strategies could guide …

Deep-learning-enabled protein–protein interaction analysis for prediction of SARS-CoV-2 infectivity and variant evolution

G Wang, X Liu, K Wang, Y Gao, G Li… - Nature Medicine, 2023 - nature.com
Host–pathogen interactions and pathogen evolution are underpinned by protein–protein
interactions between viral and host proteins. An understanding of how viral variants affect …

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 …

De novo generation of SARS-CoV-2 antibody CDRH3 with a pre-trained generative large language model

H He, B He, L Guan, Y Zhao, F Jiang, G Chen… - Nature …, 2024 - nature.com
Artificial Intelligence (AI) techniques have made great advances in assisting antibody
design. However, antibody design still heavily relies on isolating antigen-specific antibodies …

Machine learning optimization of candidate antibody yields highly diverse sub-nanomolar affinity antibody libraries

L Li, E Gupta, J Spaeth, L Shing, R Jaimes… - Nature …, 2023 - nature.com
Therapeutic antibodies are an important and rapidly growing drug modality. However, the
design and discovery of early-stage antibody therapeutics remain a time and cost-intensive …

Conditional antibody design as 3d equivariant graph translation

X Kong, W Huang, Y Liu - arXiv preprint arXiv:2208.06073, 2022 - arxiv.org
Antibody design is valuable for therapeutic usage and biological research. Existing deep-
learning-based methods encounter several key issues: 1) incomplete context for …

Recent advances in predicting and modeling protein–protein interactions

J Durham, J Zhang, IR Humphreys, J Pei… - Trends in biochemical …, 2023 - cell.com
Protein–protein interactions (PPIs) drive biological processes, and disruption of PPIs can
cause disease. With recent breakthroughs in structure prediction and a deluge of genomic …

Proximal exploration for model-guided protein sequence design

Z Ren, J Li, F Ding, Y Zhou, J Ma… - … on Machine Learning, 2022 - proceedings.mlr.press
Designing protein sequences with a particular biological function is a long-lasting challenge
for protein engineering. Recent advances in machine-learning-guided approaches focus on …