DESIGNING PROTEINS BY JOINTLY MODELING SEQUENCE AND STRUCTURE

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for designing a protein by jointly generating an amino acid sequence and a structure of the protein. In one aspect, a method comprises: generating data defining the amino acid sequence and the structur...

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Main Authors ZAMBALDI, Vinicius, FUCHS, Fabian Bernd, BATES, Russell James, STANTON, Gabriella Hayley, GALIAZZI SCHNEIDER, Rosalia, JUMPER, John, SENIOR, Andrew W, SAXTON, David William, FERGUS, Robert David, KOHL, Simon, LA, David
Format Patent
LanguageEnglish
French
German
Published 07.08.2024
Subjects
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
PHYSICS
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Summary:Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for designing a protein by jointly generating an amino acid sequence and a structure of the protein. In one aspect, a method comprises: generating data defining the amino acid sequence and the structure of the protein using a protein design neural network, comprising, for a plurality of positions in the amino acid sequence: receiving the current representation of the protein as of the current position; processing the current representation of the protein using the protein design neural network to generate design data for the current position that comprises: (i) data identifying an amino acid at the current position, and (ii) a set of structure parameters for the current position; and updating the current representation of the protein using the design data for the current position.
Bibliography:Application Number: EP20220821419