The road to fully programmable protein catalysis

SL Lovelock, R Crawshaw, S Basler, C Levy, D Baker… - Nature, 2022 - nature.com
The ability to design efficient enzymes from scratch would have a profound effect on
chemistry, biotechnology and medicine. Rapid progress in protein engineering over the past …

Computational and artificial intelligence-based methods for antibody development

J Kim, M McFee, Q Fang, O Abdin, PM Kim - Trends in pharmacological …, 2023 - cell.com
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …

Learning inverse folding from millions of predicted structures

C Hsu, R Verkuil, J Liu, Z Lin, B Hie… - International …, 2022 - proceedings.mlr.press
We consider the problem of predicting a protein sequence from its backbone atom
coordinates. Machine learning approaches to this problem to date have been limited by the …

Diffusion probabilistic modeling of protein backbones in 3d for the motif-scaffolding problem

BL Trippe, J Yim, D Tischer, D Baker… - arxiv preprint arxiv …, 2022 - arxiv.org
Construction of a scaffold structure that supports a desired motif, conferring protein function,
shows promise for the design of vaccines and enzymes. But a general solution to this motif …

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 …

De novo protein design by deep network hallucination

I Anishchenko, SJ Pellock, TM Chidyausiku… - Nature, 2021 - nature.com
There has been considerable recent progress in protein structure prediction using deep
neural networks to predict inter-residue distances from amino acid sequences,–. Here we …

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

JA Ruffolo, JJ Gray - Biophysical Journal, 2022 - cell.com
1Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA,
2Department of Chemical and Biomolecular Engineering, Johns Hopkins University …

Masked inverse folding with sequence transfer for protein representation learning

KK Yang, N Zanichelli, H Yeh - Protein Engineering, Design and …, 2023 - academic.oup.com
Self-supervised pretraining on protein sequences has led to state-of-the art performance on
protein function and fitness prediction. However, sequence-only methods ignore the rich …

Protein sequence and structure co-design with equivariant translation

C Shi, C Wang, J Lu, B Zhong, J Tang - arxiv preprint arxiv:2210.08761, 2022 - arxiv.org
Proteins are macromolecules that perform essential functions in all living organisms.
Designing novel proteins with specific structures and desired functions has been a long …

Improved motif-scaffolding with SE (3) flow matching

J Yim, A Campbell, E Mathieu, AYK Foong… - Ar**v, 2024 - pmc.ncbi.nlm.nih.gov
Protein design often begins with the knowledge of a desired function from a motif which motif-
scaffolding aims to construct a functional protein around. Recently, generative models have …