Scientific discovery in the age of artificial intelligence

H Wang, T Fu, Y Du, W Gao, K Huang, Z Liu… - Nature, 2023 - nature.com
Artificial intelligence (AI) is being increasingly integrated into scientific discovery to augment
and accelerate research, helping scientists to generate hypotheses, design experiments …

Directed evolution: methodologies and applications

Y Wang, P Xue, M Cao, T Yu, ST Lane… - Chemical reviews, 2021 - ACS Publications
Directed evolution aims to expedite the natural evolution process of biological molecules
and systems in a test tube through iterative rounds of gene diversifications and library …

Large language models generate functional protein sequences across diverse families

A Madani, B Krause, ER Greene, S Subramanian… - Nature …, 2023 - nature.com
Deep-learning language models have shown promise in various biotechnological
applications, including protein design and engineering. Here we describe ProGen, a …

Scaffolding protein functional sites using deep learning

J Wang, S Lisanza, D Juergens, D Tischer, JL Watson… - Science, 2022 - science.org
The binding and catalytic functions of proteins are generally mediated by a small number of
functional residues held in place by the overall protein structure. Here, we describe deep …

SignalP 6.0 predicts all five types of signal peptides using protein language models

F Teufel, JJ Almagro Armenteros, AR Johansen… - Nature …, 2022 - nature.com
Signal peptides (SPs) are short amino acid sequences that control protein secretion and
translocation in all living organisms. SPs can be predicted from sequence data, but existing …

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 …

Language models enable zero-shot prediction of the effects of mutations on protein function

J Meier, R Rao, R Verkuil, J Liu… - Advances in neural …, 2021 - proceedings.neurips.cc
Modeling the effect of sequence variation on function is a fundamental problem for
understanding and designing proteins. Since evolution encodes information about function …

Mega-scale experimental analysis of protein folding stability in biology and design

K Tsuboyama, J Dauparas, J Chen, E Laine… - Nature, 2023 - nature.com
Advances in DNA sequencing and machine learning are providing insights into protein
sequences and structures on an enormous scale. However, the energetics driving folding …

Sourcing thermotolerant poly (ethylene terephthalate) hydrolase scaffolds from natural diversity

E Erickson, JE Gado, L Avilán, F Bratti… - Nature …, 2022 - nature.com
Enzymatic deconstruction of poly (ethylene terephthalate)(PET) is under intense
investigation, given the ability of hydrolase enzymes to depolymerize PET to its constituent …

Protein representation learning by geometric structure pretraining

Z Zhang, M Xu, A Jamasb… - arXiv preprint arXiv …, 2022 - arxiv.org
Learning effective protein representations is critical in a variety of tasks in biology such as
predicting protein function or structure. Existing approaches usually pretrain protein …