APPARATUS FOR FINDING PROTEIN ACTIVE SITE AND METHOD THEREFOR

摘要

A device and a method for searching an active part of protein on 3D space are provided to correctly and quickly find the active part of the geometric protein by applying a mathematically verified algorithm such as a morphology process to searching process of the active part from the protein. A surface generator(100) generates a protein surface. A data preprocessor(110) generates a cubic image by sampling the protein surface in a specific unit. A data processor(120) performs the morphology process for the cubic image. A post-processor(130) extracts the active part from the cubic image processed by the morphology process. The surface generator finds the protein surface facing a spherical surface of a probe by using Van der Waals surface for all atoms forming the protein. The data preprocessor generates the cubic image by finding an axis-arranged boundary box forming the protein surface, generating lattices of 5 angstroms for the axis-arranged boundary box, and setting '1' if the lattice is the inside of the protein surface and setting '0' if the lattice is the outside of the protein surface.