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A method for protein conformation space optimization based on multi-population joint search

An optimization method and joint search technology, applied in bioinformatics and computer application fields, can solve problems such as low prediction accuracy and low search efficiency, and achieve the effects of improving prediction accuracy, enhancing detection capabilities, and mitigating adverse effects

Active Publication Date: 2021-04-06
ZHEJIANG UNIV OF TECH
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Problems solved by technology

[0006] In order to overcome the shortcomings of low search efficiency and low prediction accuracy in existing conformation space optimization methods, in order to improve the sampling ability of conformation space and alleviate the adverse effects caused by inaccurate energy functions, the present invention provides a multi-population based joint search Protein conformational space optimization method for

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  • A method for protein conformation space optimization based on multi-population joint search
  • A method for protein conformation space optimization based on multi-population joint search
  • A method for protein conformation space optimization based on multi-population joint search

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Embodiment Construction

[0039] The present invention will be further described below in conjunction with the accompanying drawings.

[0040] refer to figure 1 and figure 2 , a protein conformation space optimization method based on multi-population joint search, including the following steps:

[0041] 1) Input the sequence information of the predicted protein;

[0042] 2) Setting parameters: population size NP, number of auxiliary populations M, number of iterations G;

[0043] 3) Iterate the first and second stages of the Rosetta protocol to generate the initial population P={P 1 ,P 2 ,...,P NP}, where P n Represents the nth individual in the population P, n∈{1,2,...,NP};

[0044] 4) Let m=1, where m∈{1,2,...,M};

[0045] 5) Iterate the first and second stages of the Rosetta protocol to generate a new population

[0046] in represents the population P new The nth individual in , n∈{1,2,...,NP};

[0047] 6) Population P evolves independently, the process is as follows:

[0048] 6.1) ...

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Abstract

A protein conformation space optimization method based on multi-population joint search. This method uses the information interaction of individuals between populations combined with fragment assembly technology to enhance the ability to detect protein conformation space. The population continues to evolve, which alleviates the problem of guiding direction deviation caused by the imprecise energy function, thereby improving the overall exploration efficiency and prediction accuracy. The invention provides a protein conformation space optimization method based on multi-population joint search with high prediction accuracy.

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 multi-population joint search. Background technique [0002] Since the end of the 20th century, the field of life science has developed rapidly. As a class of macromolecules with the widest distribution and the most complex functions in organisms, proteins have received extensive attention and research. The three-dimensional structure of a protein determines its specific biological function, therefore, obtaining the three-dimensional structure of a protein is crucial for understanding its biological function, disease diagnosis and drug design. [0003] At present, there are two ways to obtain the three-dimensional structure of proteins. The first way is to directly measure the three-dimensional structure of proteins by experimental methods. The three-dimensional structure of proteins obtained by thi...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B20/00G16B45/00
Inventor 张贵军刘俊彭春祥胡俊周晓根郝小虎
Owner ZHEJIANG UNIV OF TECH