Research On The Algorithm Of Protein Three-dimensional Structure Prediction Based On Ab Initio Modeling

Protein is an amino acid sequence with certain spatial morphological structure and function.It is a catalytic enzyme for biochemical reactions in organisms,and it plays an important role in the construction of living system structures.Therefore,in-depth analysis and research on the structure and function of proteins will help to better understand the process of life activities.However,with the completion of large-scale sequencing,the number of protein sequences has grown exponentially.The gap between the number of known protein structures and the total number of genes sequenced is constantly widening due to technical reasons and the time cost of determining experimental structures.How to use effective means to make rapid and accurate predictions of protein structure is of great significance for studying protein function and structure.This paper uses the method of ab initio modeling to predict the three-dimensional structure of proteins.There are two key factors affecting ab initio modeling: the construction of energy functions and the algorithm of conformation search.This paper first constructs a new energy function based on statistical methods.Obtain protein sequence and structure data through two biological macromolecular databases SCOP and PDB,then remove the homology of protein data,retain only the representative protein structure,statistics on the frequency of the spatial distribution relationship of amino acids,and statistics The results are normalized and normalized to generate a new energy function knowledge matrix.Then,a new conformation search algorithm is proposed in this paper.This method initializes the protein structure to the surface of a cylinder,and gives a way to calculate the energy of a specific conformation.The greedy algorithm is used to select the most favorable conformational change,and a random amino acid Residues are subjected to conformational search and adjustment to finally generate a predicted protein three-dimensional structure model.By comparing with the results of current excellent protein three-dimensional structure prediction algorithms,we can see that the algorithm proposed in this paper has excellent prediction ability.But the algorithm in this paper belongs to the structural prediction method of ab initio modeling,which is more difficult to predict than other methods.