Conformation diversity policy-based protein three-dimensional structure prediction method

A technology of three-dimensional structure and prediction method, which is applied in the field of computer application and bioinformatics, and can solve problems such as insufficient sampling ability and inaccurate energy function.

Active Publication Date: 2018-10-12
ZHEJIANG UNIV OF TECH
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AI Technical Summary

Problems solved by technology

However, there is still no perfect method for predicting the three-dimensional structure of proteins.
At present, the main technical difficulties come from two aspects. On the one hand, the sampling ability of the existing conformational space sampling method is not strong enough; very satisfactory result

Method used

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  • Conformation diversity policy-based protein three-dimensional structure prediction method
  • Conformation diversity policy-based protein three-dimensional structure prediction method

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Embodiment Construction

[0044] The present invention will be further described below in conjunction with the accompanying drawings.

[0045] refer to figure 1 and figure 2 , a protein three-dimensional structure prediction method based on a conformational diversity strategy, comprising the following steps:

[0046] 1) Given the predicted protein sequence information;

[0047] 2) Set system parameters: population size N, population evolution times G max , recombination probability p c , the mutation probability p m ;

[0048] 3) The first stage, population initialization: Iterate the fragment assembly of the first stage of the Rosetta protocol to generate an initial population with N individuals make

[0049] 4) The second, third, and fourth stages are based on the corresponding Rosetta protocol, respectively performing steps 5) to 9);

[0050] 5) Start iteration, set g=1, where population algebra g∈{1,2,...,G max};

[0051] 6) For population P new Each individual P in i new , where i...

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Abstract

The invention discloses a conformation diversity policy-based protein three-dimensional structure prediction method. Under a framework of a genetic algorithm, a Rosetta standard protocol is adopted; aloop region of a conformation is operated by utilizing a genetic operator, so that spatial search for the loop region is enhanced; and a secondary protein structure information-based diversity indexis introduced, and an energy value of the conformation serves as a selection standard of population update, so that the negative influence caused by an inaccurate energy function is reduced while thepopulation diversity is enhanced, and a near-native conformation with higher precision is predicted. The conformation diversity policy-based protein three-dimensional structure prediction method provided by the invention is relatively high in prediction precision.

Description

technical field [0001] The invention relates to the fields of bioinformatics and computer applications, and in particular to a method for predicting protein three-dimensional structure based on a conformational diversity strategy. Background technique [0002] Protein molecules are an important component of all cells and tissues in the human body. All important components of the body require protein. Proteins are rich in functions and play a vital role in the normal functioning of the body. The three-dimensional structure of the protein determines the function of the protein. Only when the protein is correctly folded into a specific three-dimensional structure can it produce a unique biological function. Diseases due to protein misfolding are not uncommon. Therefore, in order to understand the function of proteins and cure various diseases related to proteins, it is necessary to obtain the three-dimensional structure of proteins. [0003] Since the end of the 20th centur...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/16G06N3/12
CPCG06N3/126G16B15/00
Inventor 张贵军刘俊王柳静谢腾宇周晓根马来发
Owner ZHEJIANG UNIV OF TECH
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