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Forecasting method for multi-stage differential evolution protein structure based on abstract bulge estimation

A protein structure and prediction method technology, applied in the fields of intelligent optimization, computer application, and biological informatics, can solve the problems of high prediction accuracy and low calculation cost

Active Publication Date: 2017-03-15
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0007] In order to overcome the shortcomings of existing protein structure prediction methods in terms of prediction accuracy and calculation cost, the present invention proposes a multi-stage differential evolution protein structure prediction method based on group abstract convex estimation with high prediction accuracy and low calculation cost

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  • Forecasting method for multi-stage differential evolution protein structure based on abstract bulge estimation
  • Forecasting method for multi-stage differential evolution protein structure based on abstract bulge estimation
  • Forecasting method for multi-stage differential evolution protein structure based on abstract bulge estimation

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Embodiment Construction

[0042] The present invention will be further described below in conjunction with the accompanying drawings.

[0043] refer to Figure 1 to Figure 4 , a multi-stage differential evolution protein structure prediction method based on abstract convex estimation, including the following steps:

[0044] 1) Select the protein force field model, that is, the energy function E(X);

[0045] 2) given input sequence information;

[0046] 3) Initialization: population size NP, crossover probability CR, phase control parameter μ, support surface slope control factor M; generate an initial conformational population according to the input sequence Among them, N represents the dimension, represents the i-th conformation C i The Nth dimensional coordinates of , and initialize the number of iterations G=0;

[0047] 4) Randomly generate positive integers rand1, rand2, rand3∈{1,2,3,...NP}, and rand1≠rand2≠rand3≠i; generate 4 random integers randrange1, randrange2, randrange3, randrange4 ...

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Abstract

The invention relates to a forecasting method for a multi-stage differential evolution protein structure based on abstract bulge estimation. The method comprises the following steps: firstly, calculating the distance from each conformation individual in a current colony to a new conformation and performing ascending sorting according to the distance; then selecting the part of the new conformation individual close to a abstract bulge lower-limit estimation support surface of the conformation individual, thereby acquiring an energy lower-limit estimation value of the new conformation individual; calculating an average estimation error between the energy lower-limit estimation value of all the new conformation individuals and a practical energy value; dividing the whole algorithm into a plurality of optimizing stages according to the change in the average estimation error; judging the stage of the present iteration according to the average estimation error in the last iteration; and designing different strategies for all the stages and generating the new conformation individual. The forecasting method for the multi-stage differential evolution protein structure based on the colony abstract bulge estimation provided by the invention is high in forecasting precision and low in calculation cost.

Description

technical field [0001] The invention relates to the fields of biological informatics, intelligent optimization and computer application, and in particular to a multi-stage differential evolution protein prediction method based on abstract convex estimation. Background technique [0002] Protein is one of the most important macromolecules in all living things, and more than half of the dry weight of a cell is protein. Proteins are sequential chains of amino acids linked together by single peptide bonds, and these linked chains fold into three-dimensional structures that embody their functions and regulate cellular activities in organisms to maintain life. Protein molecules embody the remarkable relationship between protein structure and function at the molecular level. Proteins have many different functions in biology. The three-dimensional native structure of a protein determines its biological mechanism, and in turn, the one-dimensional chain of protein amino acid monomer...

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Application Information

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IPC IPC(8): G06F19/16G06N3/12
CPCG06N3/126G16B15/00
Inventor 张贵军周晓根郝小虎王柳静俞旭锋徐东伟李章维
Owner ZHEJIANG UNIV OF TECH
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