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Deep learning in protein structural modeling and design
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and
powerful computational resources, impacting many fields, including protein structural …
powerful computational resources, impacting many fields, including protein structural …
Structure-based protein design with deep learning
Since the first revelation of proteins functioning as macromolecular machines through their
three dimensional structures, researchers have been intrigued by the marvelous ways the …
three dimensional structures, researchers have been intrigued by the marvelous ways the …
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 …
Robust deep learning–based protein sequence design using ProteinMPNN
Although deep learning has revolutionized protein structure prediction, almost all
experimentally characterized de novo protein designs have been generated using …
experimentally characterized de novo protein designs have been generated using …
An end-to-end deep learning method for protein side-chain packing and inverse folding
M McPartlon, J Xu - Proceedings of the National Academy of Sciences, 2023 - pnas.org
Protein side-chain packing (PSCP), the task of determining amino acid side-chain
conformations given only backbone atom positions, has important applications to protein …
conformations given only backbone atom positions, has important applications to protein …
Protein sequence design with a learned potential
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 …
problems, and enormous effort has gone into the development of energy functions to guide …