Protein structure design method and device based on deep learning

Abstract

The invention relates to a protein structure design method and device based on deep learning. The method comprises the following steps: determining a gene sequence or molecular crystal structure information of a targeted protein according to a biomarker; inputting the gene sequence or molecular crystal structure information of the targeted protein into a geometric graph neural network model; generating an amino acid sequence by using the trained geometric graph neural network model; constructing a protein skeleton model according to the generated amino acid sequence and the homologous protein;and optimizing the protein skeleton model according to proteomics and molecular dynamics. According to the method, protein data is bound with corresponding DNA sequences and mRNA sequences, so that the interpretability and effectiveness of the generated amino acid sequences are improved, the screening, repeated adsorption, elution and amplification processes of protein design or verification arereduced, and the calculation amount of the model is reduced through a geometric graph neural network.

Description

technical field [0001] The present invention relates to the field of biological information and deep learning, in particular to a method and device for constructing an antibody library based on deep learning. Background technique [0002] As an important part of living organisms, proteins participate in most biological functions of living organisms. In particular, important physiological activities in the human body are completed by protein, which is an important material basis for life activities. As a class of macromolecules with the widest distribution and the most complex functions in organisms, the study of proteins has always been an important part of biology. [0003] The molecular structure of a protein includes four levels, in which the arrangement order of the amino acid sequence is called the primary structure of the protein; the polypeptide chain of the protein is regulated by hydrogen bonds between oxygen groups, regular and periodic The stable structure of th...

AI Technical Summary

Problems solved by technology

[0009] In order to solve the problems of high repetition, low validity and poor interpretability of the amino acid sequence generated in the existing model-based protein design, the present invention provides a protein structure design method based on deep learning in the first aspect of the present invention, including the following Steps: Determine the gene sequence or molecular crystal structure information of the targeted protein acc

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