Protein structure prediction method, protein structure prediction device and medium

Abstract

The invention provides a protein structure prediction method, a protein structure prediction device and a medium. The protein structure prediction method is applied to the computer equipment, the computer equipment comprises a CPU and at least one GPU, and the method comprises the following steps: obtaining a target protein sequence of a to-be-predicted protein structure. And in the CPU, according to the sequence length of the target protein sequence, determining an alignment quantity threshold value of a matching sequence corresponding to the target protein sequence. And comparing the target protein sequence with a plurality of protein sequences in a preset protein sequence library according to the comparison quantity threshold, and determining a matching sequence corresponding to the target protein sequence. And determining a matching structure corresponding to the matching sequence in a preset protein structure database. And inputting the matching sequence and the matching structure into a protein structure prediction model preset in a GPU for protein structure prediction, and obtaining a protein prediction structure corresponding to the target protein sequence. The memory occupation of the GPU can be reduced, the operation speed of the GPU is improved, and the prediction rate is accelerated.

Description

technical field [0001] The invention relates to the technical field of artificial intelligence, in particular to a protein structure prediction method, a protein structure prediction device and a medium. Background technique [0002] With the development of deep learning, its applications are becoming more and more extensive, and more and more fields are gradually taking deep learning as the focus of future development, including the biopharmaceutical industry. [0003] In the technical field of structural biology, protein structure prediction has always been a concern. In the traditional technology, protein structure prediction is obtained after multiple experiments with the help of cryo-electron microscopy, and the time spent on each protein structure prediction is calculated in units of years, which requires a lot of manpower and material costs. However, in recent years, with the rapid development of deep learning, it is possible to predict the protein sequence of unknow...

AI Technical Summary

Problems solved by technology

[0005] Therefore, the technical problem to be solved by the present invention is to overcome the defects of wasting GPU resources and low prediction efficiency when using alphafold2 to predict protein structure in the prior art, thereby providing a protein structure prediction method, protein structure prediction device and medium

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