Research On Similarity Comparison Of Protein Based On 3D Structure

The intrinsic relationship between the function of a protein and its structure is an important issue in the study of contemporary life science and the similarity comparison of protein structures can provide effective hints in such study. The similarity comparison of molecular structures based on computer graphics provides a method of evaluating similarity of molecular via its performance evaluation. The expression and description of the similarity of molecular structure are still very vague today. There are many methods bringing about a result of similarity comparisons. However, their computation complexities are complicated.It is advantageous for the discovery of similarity by computer graphics which is used to aid other disciplines, and the most advantages is that graphics has a great ability of space expression. A novel algorithm for comparing protein structure similarity is proposed. By using spherical polar coordinates to divide the space of proteins, the space density of main elements in protein molecules could be obtained easily and quickly. With the help of density fingerprints, the similarity between the proteins could be computed. At the same time, this essay has exploited PCA in space spherical Polar coordinates. It makes principal axes of 2 proteins macromolecular in alignment before the evaluation of similarity in order to guarantee the geometrical invariability of similarity computation.This essay designs an experiment about the classification of proteins. The experimental results show that the proposed method could be used in similarity determination for proteins. Moreover, the results of classification of the proteins of different functions based on their density fingerprints seem to be quite reasonable. Thus, the approach developed in this thesis might be of significance in similarity determination and further classification for macromolecules.