Controllable protein design with language models

N Ferruz, B Höcker - Nature Machine Intelligence, 2022 - nature.com
The twenty-first century is presenting humankind with unprecedented environmental and
medical challenges. The ability to design novel proteins tailored for specific purposes would …

[HTML][HTML] Advances in protein structure prediction and design

B Kuhlman, P Bradley - Nature reviews molecular cell biology, 2019 - nature.com
The prediction of protein three-dimensional structure from amino acid sequence has been a
grand challenge problem in computational biophysics for decades, owing to its intrinsic …

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 …

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 …

Hallucinating symmetric protein assemblies

BIM Wicky, LF Milles, A Courbet, RJ Ragotte… - Science, 2022 - science.org
Deep learning generative approaches provide an opportunity to broadly explore protein
structure space beyond the sequences and structures of natural proteins. Here, we use deep …

Recent advances in de novo protein design: Principles, methods, and applications

X Pan, T Kortemme - Journal of Biological Chemistry, 2021 - ASBMB
The computational de novo protein design is increasingly applied to address a number of
key challenges in biomedicine and biological engineering. Successes in expanding …

The coming of age of de novo protein design

PS Huang, SE Boyken, D Baker - Nature, 2016 - nature.com
There are 20200 possible amino-acid sequences for a 200-residue protein, of which the
natural evolutionary process has sampled only an infinitesimal subset. De novo protein …

Loop dynamics and the evolution of enzyme activity

M Corbella, GP Pinto, SCL Kamerlin - Nature Reviews Chemistry, 2023 - nature.com
In the early 2000s, Tawfik presented his 'New View'on enzyme evolution, highlighting the
role of conformational plasticity in expanding the functional diversity of limited repertoires of …

A brief history of de novo protein design: minimal, rational, and computational

DN Woolfson - Journal of Molecular Biology, 2021 - Elsevier
Protein design has come of age, but how will it mature? In the 1980s and the 1990s, the
primary motivation for de novo protein design was to test our understanding of the …

De novo metalloprotein design

MJ Chalkley, SI Mann, WF DeGrado - Nature Reviews Chemistry, 2022 - nature.com
Natural metalloproteins perform many functions—ranging from sensing to electron transfer
and catalysis—in which the position and property of each ligand and metal are dictated by …