Protein conformation space optimization method based on differential evolution local disturbance

An optimization method and differential evolution technology, applied in the fields of bioinformatics and computer applications, can solve problems such as low search efficiency and insufficient prediction accuracy

Active Publication Date: 2019-02-19
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0006] In order to overcome the problems of low search efficiency and insufficient prediction accuracy of the existing conformational space optimization method for exploring the loop region, the present invention provides a protein conformational space optimization method based on local perturbation of differential evolution with high prediction accuracy. The method enhances th...

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  • Protein conformation space optimization method based on differential evolution local disturbance
  • Protein conformation space optimization method based on differential evolution local disturbance
  • Protein conformation space optimization method based on differential evolution local disturbance

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Embodiment Construction

[0067] The present invention will be further described below in conjunction with the accompanying drawings.

[0068] refer to figure 1 with figure 2 , a protein conformation space optimization method based on local perturbation of differential evolution, including the following steps:

[0069] 1) Input the sequence information of the predicted protein;

[0070] 2) Set parameters, the process is as follows:

[0071] 2.1) Conformation search differential evolution parameters: population size NP, iteration number G;

[0072] 2.2) Dihedral angle perturbation differential evolution parameters: population size NP', iteration number G', crossover probability CR, mutation operator F;

[0073] 3) Population initialization: Iterate the first, second, and third stages of the Rosetta protocol to generate a population with NP individuals P={P 1 ,P 2 ,...,P NP}, where P n Represents the nth individual in the population P, n∈{1,2,...,NP};

[0074] 4) Let g=1, where g∈{1,2,...,G}; ...

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Abstract

A protein conformation space optimization method based on differential evolution local disturbance is disclosed. Under the framework of a differential evolution algorithm, information exchange betweenindividuals in a population is used to enhance the exploration ability of the algorithm; and simultaneously, the differential evolution algorithm is used to achieve the fine tuning of a loop area andincrease the diversity of a loop area structure so that the exploration of the loop area is further enhanced based on an existing structure and then the exploration efficiency and the prediction precision of an integral body are increased. By using the protein conformation space optimization method based on the differential evolution local disturbance, prediction precision is high.

Description

technical field [0001] The invention relates to the fields of bioinformatics and computer applications, in particular to a protein conformation space optimization method based on differential evolution local perturbation. Background technique [0002] Protein is a biological macromolecule composed of amino acids as the basic unit. Protein is the material basis of life and the basic organic matter that constitutes cells. There are 20 kinds of amino acids in living organisms, and the arrangement and combination of 20 kinds of amino acids form various proteins with specific functions. The function of a protein is determined by its spatial structure, and many diseases are caused by changes in the spatial structure of proteins. Therefore, determining the spatial structure of proteins will help in the treatment of related diseases. [0003] Due to the limitations of the method for determining the three-dimensional structure of proteins through experiments, the use of computer t...

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Application Information

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IPC IPC(8): G16B15/00G06N3/00
CPCG06N3/006
Inventor 张贵军刘俊彭春祥周晓根王柳静李远锋
Owner ZHEJIANG UNIV OF TECH
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