Multi-variation strategy protein structure prediction method combined with evaluation of exclusion degree

Abstract

The invention relates to a multi-variation strategy protein structure prediction method combined with evaluation of exclusion degree. The multi-variation strategy protein structure prediction method includes the steps: under an evolution algorithm framework, 1) establishing three different variation strategies, selecting one variation strategy according to a mode of roulette to perform variation on conformation, and performing 3-segment assembling for once time on the generated variation conformation to generate a variation conformation; 2) performing crossed operation on the variation conformation; and 3) using a Rosetta energy function score3 and a Monte Carlo Boltzmann acceptance criteria to select the conformation with the index {1, 2, ..., NP / 2}, and using an exclusion index Exclusion, and the Monte Carlo Boltzmann acceptance criteria for selecting the conformation with the index {(NP / 2)+1, (NP / 2)+2,..., NP}. The multi-variation strategy protein structure prediction method combined with evaluation of exclusion degree can increase the diversity of populations, and can alleviate the problem that the energy function is not accurate, thus improving the sampling efficiency. The multi-variation strategy protein structure prediction method combined with evaluation of exclusion degree has high sampling efficiency and high prediction accuracy.

Description

technical field [0001] The invention relates to the field of bioinformatics and computer application, in particular to a method for predicting protein structure with multi-variation strategy combined with evaluation of extrusion degree. Background technique [0002] In 1953, Watson and Crick published the double helix structure model of DNA molecule in the journal "Nature", which marked the birth of molecular biology in a true sense; in 1958, Crick put forward the idea of ​​"central dogma" of molecular biology, which profoundly revealed The general process of the transfer and expression of biological genetic information from DNA to protein; in 1965, Nirenberg, Khorana and Holley discovered the triplet genetic code (i.e. the first genetic code), and DNA is translated into three nucleotide codons as The amino acid sequence of a protein; in 1990, the United States launched the Human Genome Project and officially announced its completion in 2003. For more than a decade, the Hum...

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Problems solved by technology

[0008] In order to overcome the shortcomings of the existing protein structure prediction methods, such as low sampling efficiency, poor population diversity, and low prediction accuracy, the present invention introduces a multi-variation strategy to guide the conformational space search under the framework of the basic differential evolution algorithm, and at the same time combines the evaluation of the degree of exclusion Strategies to select conformations, a multi-variation strategy protein structure prediction method combined with evaluation of crowding out degree with high sampling efficiency and high prediction accuracy

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