METHOD FOR SEARCHING 3-DIMENSIONAL STRUCTURE OF PROTEIN, COMPUTER PROGRAM FOR SEARCHING 3-DIMENSIONAL STRUCTURE, AND DEVICE FOR SEARCHING 3-DIMENSIONAL STRUCTURE

摘要

PPROBLEM TO BE SOLVED: To provide technology for searching the 3-dimensional structure of protein for efficiently searching the reliable 3-dimensional structure of protein. PSOLUTION: The known portion of a 3-dimensional structure to be used for the search of a 3-dimensional structure in the connected structure of protein is decided, and the connected structure of protein is divided into fragments including the decided known portion of the 3-dimensional structure. As for the decided known portion of the 3-dimensional structure, the 3-dimensional structure is adopted as an initial state, and as for the other portion, an arbitrary 3-dimensional structure is adopted as an initial state, and the experimental value of radial distribution is defined as true radial distribution, and the 3-dimensional structure of each fragment is optimized so that the radial distribution calculated by calculation from the applied 3-dimensional structure of each fragment can be made close to the true radial distribution by using a reverse Monte Carlo method. PCOPYRIGHT: (C)2006,JPO&NCIPI