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 …

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 …, 2023 - 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 …

Evolutionary-scale prediction of atomic-level protein structure with a language model

Z Lin, H Akin, R Rao, B Hie, Z Zhu, W Lu, N Smetanin… - Science, 2023 - science.org
Recent advances in machine learning have leveraged evolutionary information in multiple
sequence alignments to predict protein structure. We demonstrate direct inference of full …

Sequence modeling and design from molecular to genome scale with Evo

E Nguyen, M Poli, MG Durrant, B Kang, D Katrekar… - Science, 2024 - science.org
The genome is a sequence that encodes the DNA, RNA, and proteins that orchestrate an
organism's function. We present Evo, a long-context genomic foundation model with a …

ProtGPT2 is a deep unsupervised language model for protein design

N Ferruz, S Schmidt, B Höcker - Nature communications, 2022 - nature.com
Protein design aims to build novel proteins customized for specific purposes, thereby
holding the potential to tackle many environmental and biomedical problems. Recent …

[HTML][HTML] Progen2: exploring the boundaries of protein language models

E Nijkamp, JA Ruffolo, EN Weinstein, N Naik, A Madani - Cell systems, 2023 - cell.com
Attention-based models trained on protein sequences have demonstrated incredible
success at classification and generation tasks relevant for artificial-intelligence-driven …

Transformer-based deep learning for predicting protein properties in the life sciences

A Chandra, L Tünnermann, T Löfstedt, R Gratz - Elife, 2023 - elifesciences.org
Recent developments in deep learning, coupled with an increasing number of sequenced
proteins, have led to a breakthrough in life science applications, in particular in protein …

[HTML][HTML] Bilingual language model for protein sequence and structure

M Heinzinger, K Weissenow… - NAR Genomics and …, 2024 - pmc.ncbi.nlm.nih.gov
Adapting language models to protein sequences spawned the development of powerful
protein language models (pLMs). Concurrently, AlphaFold2 broke through in protein …

Structure-informed language models are protein designers

Z Zheng, Y Deng, D Xue, Y Zhou… - … on machine learning, 2023 - proceedings.mlr.press
This paper demonstrates that language models are strong structure-based protein
designers. We present LM-Design, a generic approach to reprogramming sequence-based …