Machine learning for functional protein design

P Notin, N Rollins, Y Gal, C Sander, D Marks - Nature biotechnology, 2024 - nature.com
Recent breakthroughs in AI coupled with the rapid accumulation of protein sequence and
structure data have radically transformed computational protein design. New methods …

Genome-wide prediction of disease variant effects with a deep protein language model

N Brandes, G Goldman, CH Wang, CJ Ye, V Ntranos - Nature Genetics, 2023 - nature.com
Predicting the effects of coding variants is a major challenge. While recent deep-learning
models have improved variant effect prediction accuracy, they cannot analyze all coding …

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 …

Proteinnpt: Improving protein property prediction and design with non-parametric transformers

P Notin, R Weitzman, D Marks… - Advances in Neural …, 2023 - proceedings.neurips.cc
Protein design holds immense potential for optimizing naturally occurring proteins, with
broad applications in drug discovery, material design, and sustainability. However …

[HTML][HTML] Learning from prepandemic data to forecast viral escape

NN Thadani, S Gurev, P Notin, N Youssef, NJ Rollins… - Nature, 2023 - nature.com
Effective pandemic preparedness relies on anticipating viral mutations that are able to
evade host immune responses to facilitate vaccine and therapeutic design. However, current …

Poet: A generative model of protein families as sequences-of-sequences

T Truong Jr, T Bepler - Advances in Neural Information …, 2023 - proceedings.neurips.cc
Generative protein language models are a natural way to design new proteins with desired
functions. However, current models are either difficult to direct to produce a protein from a …

Stability Oracle: a structure-based graph-transformer framework for identifying stabilizing mutations

DJ Diaz, C Gong, J Ouyang-Zhang, JM Loy… - Nature …, 2024 - nature.com
Engineering stabilized proteins is a fundamental challenge in the development of industrial
and pharmaceutical biotechnologies. We present Stability Oracle: a structure-based graph …

An end-to-end framework for the prediction of protein structure and fitness from single sequence

Y Chen, Y Xu, D Liu, Y Xing, H Gong - Nature Communications, 2024 - nature.com
Significant research progress has been made in the field of protein structure and fitness
prediction. Particularly, single-sequence-based structure prediction methods like ESMFold …

Stability oracle: a structure-based graph-transformer for identifying stabilizing mutations

DJ Diaz, C Gong, J Ouyang-Zhang, JM Loy, J Wells… - BioRxiv, 2023 - biorxiv.org
Stabilizing proteins is a fundamental challenge in protein engineering and is almost always
a prerequisite for the development of industrial and pharmaceutical biotechnologies. Here …