Journal of chemical information and modeling
Sep 26, 2022
Directed evolution, a revolutionary biotechnology in protein engineering, optimizes protein fitness by searching an astronomical mutational space via expensive experiments. The cluster learning-assisted directed evolution (CLADE) efficiently explores...
Although deep learning has revolutionized protein structure prediction, almost all experimentally characterized de novo protein designs have been generated using physically based approaches such as Rosetta. Here, we describe a deep learning-based pro...
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 network hallucination to generate a wide range of symmetric protein homo-...
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 learning approaches for scaffolding such functional sites without n...
Plastic waste poses an ecological challenge and enzymatic degradation offers one, potentially green and scalable, route for polyesters waste recycling. Poly(ethylene terephthalate) (PET) accounts for 12% of global solid waste, and a circular carbon e...
Machine learning (ML) is revolutionizing our ability to understand and predict the complex relationships between protein sequence, structure, and function. Predictive sequence-function models are enabling protein engineers to efficiently search the s...
Proceedings of the National Academy of Sciences of the United States of America
Mar 7, 2022
SignificanceComputational protein design promises to advance applications in medicine and biotechnology by creating proteins with many new and useful functions. However, new functions require the design of specific and often irregular atom-level geom...
Chemical communications (Cambridge, England)
Feb 17, 2022
Enzyme engineering is an important biotechnological process capable of generating tailored biocatalysts for applications in industrial chemical conversion and biopharma. Typical enhancements sought in enzyme engineering and evolution campaigns inclu...
The task of protein sequence design is central to nearly all rational protein engineering problems, and enormous effort has gone into the development of energy functions to guide design. Here, we investigate the capability of a deep neural network mo...
Enhancing the potency of mRNA therapeutics is an important objective for treating rare diseases, since it may enable lower and less-frequent dosing. Enzyme engineering can increase potency of mRNA therapeutics by improving the expression, half-life, ...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.