The Research Of Protein Configuration Forecasting Based On Mixed Genetic Algorithm

The issues of protein configuration forecasting are the questions how to forecast its function and folding and so on from the protein aminophenol sequence. How the spatial protein configuration created by the definite aminophenol one-dimensional configuration, is an important issue that the human unveil the mystery of life. The problem of protein folding is to predict the protein three-dimensional structure from its one-dimensional structure. The protein folding thermodynamic hypothesis points out that the spatial structure of a protein is encoded by its primary structure, and its unique spatial structure is the conformation with minimal free energy. So it becomes the internal and overseas research hotspot at present that how to predict the spatial configuration by the sequence of amino acids and how to find the minimal free energy. The course of Protein folding includes a course of thermodynamics and that of dynamics, which is rather random and complex. Therefore, predigesting model and especial method are all necessary in the course of searching the minimal of protein folding energy function. The main results based on this research in the thesis are as follows:The thesis discusses the problem how to solve the energy of protein structure firstly. The perfect energy function should express exactly the relation of the total spatial position of atoms of protein and their energy. Owing to the complexity of protein molecule itself, the freedom degree of the erected model integrating its properties such as biology, physics, chemic and so on is very large, and it will fall across a great mach difficulty to solve the problem. So the energy function must be predigested properly when solving the problem. The thesis composes a predigesting energy function combining the existed energy function and the HP lattice model based on the purpose.The protein three-dimensional conformation model adopted by the thesis is HP cube lattice model on the issue of searching the protein structure with minimal energy. This thesis discusses the model's structure, the model's denotation, the model'scharacteristic and how to describe it using data configuration. Based on this model, first of all, there will create N three-dimensional conformations, then the thesis adopts Mixed Genetic Algorithm for pattern searching in the tremendous conformation space, to simulate the process of Protein Folding and to find the three-dimensional structure with the minimal free energy.The thesis uses JAVA 3D technology to imitate the three-dimensional structure basing on the spatial position and property of each amino acid which consist the protein after searching the savageness protein spatial configuration with the minimal free energy.