[HTML][HTML] Empowering biomedical discovery with AI agents

S Gao, A Fang, Y Huang, V Giunchiglia, A Noori… - Cell, 2024 - cell.com
We envision" AI scientists" as systems capable of skeptical learning and reasoning that
empower biomedical research through collaborative agents that integrate AI models and …

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 …

[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 …

Clustering predicted structures at the scale of the known protein universe

I Barrio-Hernandez, J Yeo, J Jänes, M Mirdita… - Nature, 2023 - nature.com
Proteins are key to all cellular processes and their structure is important in understanding
their function and evolution. Sequence-based predictions of protein structures have …

Protein remote homology detection and structural alignment using deep learning

T Hamamsy, JT Morton, R Blackwell, D Berenberg… - Nature …, 2024 - nature.com
Exploiting sequence–structure–function relationships in biotechnology requires improved
methods for aligning proteins that have low sequence similarity to previously annotated …

<? sty\usepackage {wasysym}?> Bilingual language model for protein sequence and structure

M Heinzinger, K Weissenow… - NAR Genomics and …, 2024 - academic.oup.com
Adapting language models to protein sequences spawned the development of powerful
protein language models (pLMs). Concurrently, AlphaFold2 broke through in protein …

SE (3) diffusion model with application to protein backbone generation

J Yim, BL Trippe, V De Bortoli, E Mathieu… - arxiv preprint arxiv …, 2023 - arxiv.org
The design of novel protein structures remains a challenge in protein engineering for
applications across biomedicine and chemistry. In this line of work, a diffusion model over …

Uncovering new families and folds in the natural protein universe

J Durairaj, AM Waterhouse, T Mets, T Brodiazhenko… - Nature, 2023 - nature.com
We are now entering a new era in protein sequence and structure annotation, with hundreds
of millions of predicted protein structures made available through the AlphaFold database …

Birth of protein folds and functions in the virome

J Nomburg, EE Doherty, N Price, D Bellieny-Rabelo… - Nature, 2024 - nature.com
The rapid evolution of viruses generates proteins that are essential for infectivity and
replication but with unknown functions, due to extreme sequence divergence. Here, using a …

Fine-tuning protein language models boosts predictions across diverse tasks

R Schmirler, M Heinzinger, B Rost - Nature Communications, 2024 - nature.com
Prediction methods inputting embeddings from protein language models have reached or
even surpassed state-of-the-art performance on many protein prediction tasks. In natural …