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A multimodal protein structure prediction method based on crowding out strategy

A protein structure and prediction method technology, applied in the field of multimodal protein structure prediction based on the extrusion strategy, can solve problems such as insufficient search of multi-extremal solutions of energy models, increase algorithm complexity, simple and feasible operation, and alleviate inaccuracy effect of the problem

Active Publication Date: 2021-05-18
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0005] Therefore, the current protein structure prediction methods are insufficient in searching for multi-extreme solutions of energy models and need to be improved

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  • A multimodal protein structure prediction method based on crowding out strategy
  • A multimodal protein structure prediction method based on crowding out strategy
  • A multimodal protein structure prediction method based on crowding out strategy

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Embodiment Construction

[0039] The present invention will be further described below in conjunction with the accompanying drawings.

[0040] refer to Figure 1 ~ Figure 3 , a multimodal protein structure prediction method based on the crowding out strategy, including the following steps:

[0041] 1) Given the input sequence information and the protein force field model, namely the energy function Rosetta Score3;

[0042] 2) Initialization: Iterate the first and second stages of the Rosetta protocol to generate a population P with NP conformations g , denoted as in For the i-th conformation of the g-th generation population, set the maximum number of iterations G max And initialize the number of iterations g=0;

[0043] 3) Generate population P through crossover and mutation operations of differential evolution algorithm g The test conformation population U g , denoted as in is the i-th test conformation of the g-th generation population. Set i=1, the process is as follows:

[0044] 3.1...

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Abstract

A multimodal protein structure prediction method based on crowding out strategy, comprising the following steps: 1) Given input sequence information and protein force field model; 2) Initialization; 3) Mutation and crossover operations; 4) Generate archive set; 5) Calculation of cluster center and cluster radius; 6) crowding out operation; 7) clustering operation; 8) judging whether the termination condition is satisfied, if so, terminate and output all optimal solutions. The present invention proposes a multimodal protein structure prediction method based on the crowding out strategy. Under the framework of the differential evolution algorithm, the method adopts the crowding out strategy to adaptively form multiple modes during the evolution process, so that it can discover all the protein structures of the model. In this process, as many local optimal solutions as possible are saved, so as to improve the prediction accuracy of the protein structure prediction method. The invention provides a multi-modal protein structure prediction method based on an exclusion strategy with high prediction accuracy.

Description

technical field [0001] The invention relates to the fields of bioinformatics, intelligent optimization and computer application, and in particular to a multimodal protein structure prediction method based on crowding out strategy. Background technique [0002] In the 125 scientific issues published by Science in 2005, "the problem of whether protein folding can be predicted" was raised, indicating that the determination of the structure of biological macromolecules represented by proteins is not only a basic theoretical problem that has not yet been resolved by the central dogma of molecular biology, but also It is an application problem that needs to be solved urgently in the fields of medicine, pharmacy and materials science that are related to the vital interests of human beings. For example, the structural variation of Prion Protein (PrP) will cause mad cow disease, and protein misfolding will lead to diseases such as Alzheimer's disease and Parkinson's disease. Therefo...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B15/20G16B40/20
Inventor 张贵军王柳静刘俊周晓根谢腾宇郝小虎
Owner ZHEJIANG UNIV OF TECH
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