SYSTEM AND METHOD FOR SEARCHING MATERIALS INTERFACING WITH PROTEINS BASED ON INTERFACEOME AND RECORDING MEDIUM THEREFOR

摘要

A system, a method and a recording medium for searching materials interfacing with proteins based on interfaceome are provided to search materials interfacing with proteins more accurately and rapidly from database including information about interfaceome between proteins and other subject materials. A system for searching materials interfacing with proteins based on interfaceome comprises a controlling part(110); a database(120) which stores information about proteins, interfaceome and compounds; I/O interface(130); a device for extracting interfaceome(140) which generates a three dimensional structure of the proteins by referencing the database in accordance with inputting of an amino acid sequence of the protein to be searched, extracts the surface structure from the three dimensional structure and matches the surface structure with the each of the stored interfaceome to extract the interfaceome matched with a predetermined value; an interfacing material extracting device(150) which extracts the material having the interfaceome corresponding to the interfaceome of the protein to be searched from the database; a docking energy calculation device(170) which docks the material selected from the interfaceome of the protein to be searched and database and calculates the energy of the material during docking; and a storing unit(180). The system further comprises a lead material selecting device(160) which selects a series of materials to dock from the database.