- 专利标题: SEARCH PROGRAM, SEARCH APPARATUS, AND METHOD OF SEARCHING FOR DETEMING A STABLE STRUCTURE OF COARSE-GRAINED MODEL OF A PEPTIDE
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申请号: EP22217113.4申请日: 2022-12-29
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公开(公告)号: EP4250303A1公开(公告)日: 2023-09-27
- 发明人: Manabe, Toshio , Sato, Hiroyuki , Tanida, Yoshiaki , Terashima, Chieko
- 申请人: FUJITSU LIMITED
- 申请人地址: JP Kawasaki-shi, Kanagawa 211-8588 1-1, Kamikodanaka 4-chome, Nakahara-ku
- 代理机构: Hoffmann Eitle
- 优先权: JP2022045418 20220322
- 主分类号: G16C20/30
- IPC分类号: G16C20/30 ; G16C20/40 ; G16B15/00
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.
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