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The road to fully programmable protein catalysis
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 …
chemistry, biotechnology and medicine. Rapid progress in protein engineering over the past …
Computational and artificial intelligence-based methods for antibody development
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …
the largest class of biotherapeutics. The traditional largely empirical antibody development …
Learning inverse folding from millions of predicted structures
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 …
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
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 …
shows promise for the design of vaccines and enzymes. But a general solution to this motif …
Hallucinating symmetric protein assemblies
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 …
structure space beyond the sequences and structures of natural proteins. Here, we use deep …
De novo protein design by deep network hallucination
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 …
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
1Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA,
2Department of Chemical and Biomolecular Engineering, Johns Hopkins University …
2Department of Chemical and Biomolecular Engineering, Johns Hopkins University …
Masked inverse folding with sequence transfer for protein representation learning
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 function and fitness prediction. However, sequence-only methods ignore the rich …
Protein sequence and structure co-design with equivariant translation
Proteins are macromolecules that perform essential functions in all living organisms.
Designing novel proteins with specific structures and desired functions has been a long …
Designing novel proteins with specific structures and desired functions has been a long …
Improved motif-scaffolding with SE (3) flow matching
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 …
scaffolding aims to construct a functional protein around. Recently, generative models have …