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A population protein structure prediction method based on fragment resampling

A protein structure and prediction method technology, which is applied in the field of population protein structure prediction based on fragment resampling, can solve problems such as insufficient, low protein structure prediction accuracy, and inaccurate energy function conformation space search, etc., to increase search and increase Variety, effect of improving accuracy

Active Publication Date: 2018-12-25
深圳新锐基因科技有限公司
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Problems solved by technology

[0006] In order to solve the problem of low protein structure prediction accuracy caused by inaccurate energy function and insufficient conformational space search, the present invention proposes a population protein structure prediction method based on fragment resampling with high prediction accuracy

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  • A population protein structure prediction method based on fragment resampling
  • A population protein structure prediction method based on fragment resampling
  • A population protein structure prediction method based on fragment resampling

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Embodiment Construction

[0028] The present invention will be further described below in conjunction with the accompanying drawings.

[0029] refer to Figure 1 ~ Figure 3 , a method for predicting population protein structure based on fragment resampling, said method comprising the following steps:

[0030] 1) Parameter setting: set the number of initial conformations N, the initial population NP, the crossover probability CR, the crossover algebra G, and the maximum number of iterations G max , the threshold δ of the average residue-to-distance score, the number of cluster centers X, the number of fragments M at each residue position, and an energy function are set;

[0031] 2) Input the target protein sequence, use the PSIPRED server to predict the secondary structure of the target sequence, obtain the secondary structure of each residue, mark the secondary structure as the residue of the Loop type, and run Rosetta to obtain N candidate conformations of the target protein, Use the energy function...

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Abstract

A method for predicting population protein structure based on fragment resampling is disclosed. Firstly, Rosetta is used to generate candidate conformers, and a part of conformers with lower energy isselected from the total candidate conformers as the initial population. Then, the population was cross-manipulated to exchange the Loop region of individual population, and the individuals with low energy were selected as the next generation population by using the energy function of individual population. Secondly, the average residue pair distance fraction combined with clustering method was used to select high quality fragments. Finally, using the newly constructed fragment library, the final three-dimensional structure of the target protein can be obtained by assembling the fragments again. The invention provides a population protein structure prediction method based on fragment resampling with high prediction accuracy.

Description

technical field [0001] The present invention relates to the fields of bioinformatics, intelligent optimization and computer application, in particular to a group protein structure prediction method based on fragment resampling. Background technique [0002] Protein is the material basis of life and the main bearer of life activities. The basic unit of protein is amino acid, which forms a peptide chain through dehydration condensation, and the peptide chain forms a three-dimensional structure with specific functions through folding. Because the specific three-dimensional structure of a protein determines the function of the protein, understanding the structure of a protein is of great significance for understanding the function of a protein. Abnormal protein folding often leads to some diseases. For example, mad cow disease is caused by infection with a protein called Prion, which can also infect humans and cause neurological diseases. In a normal body, prion is a protein r...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/16G06F19/24
Inventor 李章维余宝昆孙科刘俊彭春祥周晓根张贵军
Owner 深圳新锐基因科技有限公司
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