Research On Protein Docking

Coming along with the post-genome era, protein molecular docking becomes the main research direction of proteomics. Protein molecule docking is the process in which two or many protein members distinguish mutually through the geometric match and the energy match. The two molecules must be close to each other sufficiently so that they can combine and affect to the other. Then we can receive a stable compound through the conformation adjustment. Protein molecule docking is very significant in the medicine design. Given the difficulties in experimentally determining the structures of protein complexes, the docking method to computationally predict potential binding modes is currently of great interest.This paper includes three sections. First, this paper extracts two kinds of proteins from the protein database. The proteins with larger molecular weight are called receptor which name is 5CHA. The ones with smaller molecular weight are called ligand, which name is 2OVO. Second, the data models and storage structures of receptor and ligand are defined in this paper. Then, the docking algorithm based on grid matching is presented, which uses the geometry complementary principle. The algorithm embeds the receptors and ligands into the grids and it search the total space to find the contact positions. At last, this paper gets a lot of positions, which is sorted out, filtered, given a mark, and showed in digital form.