| 摘要 |
<p><P>PROBLEM TO BE SOLVED: To provide a method of predicting docking, for predicting a binding site between a peptide and a protein, the method for greatly reducing calculation time, and providing reliable prediction results. <P>SOLUTION: The structure of a target protein is replaced by a set of points corresponding to amino-acid residues, and the set is subjected to Delaunay tessellation and thereby converted into a set of Delaunay tetrahedrons. A set of grid points is constructed around the set of Delaunay tetrahedrons, and a plurality of binding sites are randomly set for the set of grid points. After a peptide model including points corresponding to the amino-acid residues of a peptide is positioned at the binding site, a set consisting of all the peptide points of the peptide model and nearby protein points is subjected to Delaunay tessellation. A goodness of fit is defined as a function whose variable is a statistical tetrahedron potential corresponding to a tetrahedron containing at least one of the peptide points as an apex, and the arrangement of the peptide model with the greater goodness of fit is output as a prediction result. <P>COPYRIGHT: (C)2010,JPO&INPIT</p> |
