SEARCH PROGRAM, SEARCH APPARATUS, AND METHOD OF SEARCHING FOR DETEMING A STABLE STRUCTURE OF COARSE-GRAINED MODEL OF A PEPTIDE
摘要:
A search program comprising instructions which, when executed by a computer, cause the computer to execute processing including: obtaining a first cost value of a first potential that corresponds to interaction between coarse-grained particles, a second cost value of a second potential that corresponds to an angle and a dihedral angle between the particles, and a third cost value of a third potential that corresponds to repulsion and attraction between the particles; and instructing an Ising apparatus to search for a structure of a coarse-grained model with which a total sum of the first cost value, the second cost value, and the third cost value calculated for an entirety of the coarse-grained model that includes a plurality of particles satisfies a predetermined condition.
信息查询
0/0