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 …

Proteingym: Large-scale benchmarks for protein fitness prediction and design

P Notin, A Kollasch, D Ritter… - Advances in …, 2024 - proceedings.neurips.cc
Predicting the effects of mutations in proteins is critical to many applications, from
understanding genetic disease to designing novel proteins to address our most pressing …

Is novelty predictable?

C Fannjiang, J Listgarten - Cold Spring Harbor …, 2024 - cshperspectives.cshlp.org
Machine learning–based design has gained traction in the sciences, most notably in the
design of small molecules, materials, and proteins, with societal applications ranging from …

The simplicity of protein sequence-function relationships

Y Park, BPH Metzger, JW Thornton - Nature Communications, 2024 - nature.com
How complex are the rules by which a protein's sequence determines its function? High-
order epistatic interactions among residues are thought to be pervasive, suggesting an …

The genetic architecture of protein stability

AJ Faure, A Martí-Aranda, C Hidalgo-Carcedo… - Nature, 2024 - nature.com
There are more ways to synthesize a 100-amino acid (aa) protein (20100) than there are
atoms in the universe. Only a very small fraction of such a vast sequence space can ever be …

Addressing epistasis in the design of protein function

R Lipsh-Sokolik, SJ Fleishman - Proceedings of the National Academy of …, 2024 - pnas.org
Mutations in protein active sites can dramatically improve function. The active site, however,
is densely packed and extremely sensitive to mutations. Therefore, some mutations may …

The evolutionary features and roles of single nucleotide variants and charged amino acid mutations in influenza outbreaks during NPI period

ZZ Huang, J Tan, P Huang, BS Li, Q Guo, LJ Liang - Scientific Reports, 2024 - nature.com
The epidemic and outbreaks of influenza B Victoria lineage (Bv) during 2019–2022 led to an
analysis of genetic, epitopes, charged amino acids and Bv outbreaks. Based on the National …

An integrated technology for quantitative wide mutational scanning of human antibody Fab libraries

BM Petersen, MB Kirby, KM Chrispens, OM Irvin… - Nature …, 2024 - nature.com
Antibodies are engineerable quantities in medicine. Learning antibody molecular
recognition would enable the in silico design of high affinity binders against nearly any …

Reading the repertoire: Progress in adaptive immune receptor analysis using machine learning

TJ O'Donnell, C Kanduri, G Isacchini, JP Limenitakis… - Cell Systems, 2024 - cell.com
The adaptive immune system holds invaluable information on past and present immune
responses in the form of B and T cell receptor sequences, but we are limited in our ability to …

Protein stability models fail to capture epistatic interactions of double point mutations

H Dieckhaus, B Kuhlman - Protein Science, 2025 - Wiley Online Library
There is strong interest in accurate methods for predicting changes in protein stability
resulting from amino acid mutations to the protein sequence. Recombinant proteins must …