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A population protein structure prediction method based on the cooperation of global and local strategies

A protein structure and prediction method technology, applied in the field of population protein structure prediction, can solve the problems of low prediction accuracy and search efficiency, achieve the effect of maintaining population diversity, accelerating convergence speed, and improving search efficiency

Active Publication Date: 2020-12-01
ZHEJIANG UNIV OF TECH
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AI Technical Summary

Problems solved by technology

[0006] In order to overcome the shortcomings of low prediction accuracy and search efficiency of existing protein structure prediction methods, the present invention proposes a group protein structure prediction method based on global and local strategy collaboration with high prediction accuracy and search efficiency

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  • A population protein structure prediction method based on the cooperation of global and local strategies
  • A population protein structure prediction method based on the cooperation of global and local strategies
  • A population protein structure prediction method based on the cooperation of global and local strategies

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Embodiment Construction

[0034] The present invention will be further described below in conjunction with the accompanying drawings.

[0035] refer to Figure 1 ~ Figure 3 , a population protein structure prediction method based on the cooperation of global and local strategies, including the following steps:

[0036] 1) Input the sequence information of the protein to be tested, and obtain the fragment library from the ROBETTA server (http: / / www.robetta.org / );

[0037] 2) Parameter setting: set the population size NP, the crossover probability CR, the fragment length l, the temperature factor KT, and the maximum number of iterations G max , and initialize the number of iterations g=0;

[0038] 3) Randomly select fragments from the fragment library corresponding to each residue for assembly to generate an initial conformation population P={C 1 ,C 2 ,...,C NP}, where C i ,i={1,2,…,NP} is the i-th conformational individual in population P;

[0039] 4) For each conformation C in the population i ...

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Abstract

A population protein structure prediction method based on global and local strategy cooperation is disclosed. The method is characterized by under the framework of a differential evolution algorithm,for each conformation, firstly executing a global mutation strategy to carry out the global detection of a conformation space so as to obtain a potential area; and then, executing a local mutation strategy to carry out local search on the detected area so as to obtain a better conformation. In a global detection process, segment exchange is performed through the randomly-selected conformation andsimultaneously the multiple conformations are generated and tested, and the test conformation with lowest energy is selected. In a local search process, the conformation which is better than the target conformation is selected to guide mutation so as to generate multiple test conformations, and the conformation with lower energy is selected. Through the writing of the global strategy and the localstrategy, a relationship between a balance diversity and a convergence speed is achieved. By using the population protein structure prediction method based on the global and local strategy cooperation, prediction precision and search efficiency are high.

Description

technical field [0001] The invention relates to the fields of biological informatics, intelligent optimization and computer application, and in particular to a group protein structure prediction method based on the cooperation of global and local strategies. Background technique [0002] In 1965, Nirenberg and Khorana discovered the triplet genetic code (that is, the first genetic code). DNA is translated into a protein amino acid sequence (that is, the primary structure of the protein) with a codon of three nucleotides; Only by forming a specific three-dimensional structure (that is, the tertiary structure of the protein) can its specific biological function be produced. Relative to the first genetic code, the correspondence between the primary structure of a protein sequence and its tertiary structure (ie, the second genetic code or folding code) remains an unsolved mystery. In order to solve the "problem of the century" of protein folding, more and more researchers with ...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B15/20
Inventor 周晓根张贵军彭春祥刘俊王柳静
Owner ZHEJIANG UNIV OF TECH
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