Protein conformation space optimization method based on differential evolution local disturbance

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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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 the exploration of the loop region while searching the conformation space on a large scale, uses the differential evolution algorithm to realize the perturbation of the loop region, thereby increasing the diversity of the loop region structure, and further optimizes the structure of the loop region on the basis of the existing structure. thereby improving the overall prediction accuracy

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