Computer simulation method for protein folding procedure based on synthesis algorithm

A protein folding and simulation method technology, applied in the fields of bioinformatics, computing methods and computer virtual reality technology, can solve the problems of low search efficiency and slow convergence speed

Inactive Publication Date: 2007-12-05
HARBIN ENG UNIV
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Problems solved by technology

[0005] Genetic algorithm has strong global search ability and the ability to solve problems, and it is also simple, versatile and robust, and is suitable for parallel processing. However, genetic algorithm is prone to premature convergence and the result may be non-global optimal solution and in the later stage of evolution, the search efficiency is low, the convergence speed is slow, and inbreeding

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  • Computer simulation method for protein folding procedure based on synthesis algorithm
  • Computer simulation method for protein folding procedure based on synthesis algorithm

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Embodiment Construction

[0048] The present invention is described in more detail below in conjunction with accompanying drawing example:

[0049] In conjunction with Fig. 1 and Fig. 2, method of the present invention is realized on the system structure built in Fig. 2, and its concrete method is:

[0050] 1. Non-lattice protein model

[0051] The HPN non-lattice model divides amino acid molecules into H (hydrophobic, hydrophobic), P (Polar, hydrophilic), N (charged), X (unknown), and these four types of molecules are arranged according to certain rules. Linear chain, n-2 horizontal angles in configuration of n residues qi ( - p ≤ qi p ) and n-3 vertical angle ( - p 2 ≤ b i p 2 ) Exactly. Modeling and optimiz...

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Abstract

The invention discloses a computer simulating method based on protein folding course of synthetic algorism, which comprises the following steps: selecting non-lattice protein model; affirming energy function; searching three-dimensional structure of protein with minimum free energy; simulating the folding course; analyzing data; modifying. The invention combines the prediction of knowledge and the prediction of simulation, which improves the precision and calculating speed greatly without large amount of specific details in the folding course.

Description

(1) Technical field [0001] The invention relates to a method for simulating the protein folding process, which belongs to biological information technology, calculation method and computer virtual reality technology. (2) Background technology [0002] There are two theoretical methods for predicting the three-dimensional structure of a protein from its amino acid sequence: [0003] One is knowledge-based protein structure prediction, which uses the existing protein structure data in the protein database to establish appropriate parameters according to the principle of pattern matching, and uses these parameters to evaluate, optimize and predict on the basis of protein primary structure. The knowledge-based prediction method is relatively simple and fast, but it needs to find a template with homology that meets the requirements. [0004] The other is the prediction of protein structure based on simulation, which is used to study the folding process, that is, the process of p...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00G06F19/16
Inventor 张菁于杨陈杰李艳波单颖赵明王海玲王立伟于思亮
Owner HARBIN ENG UNIV
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