Vorrichtung zur Schätzung einer Atomstruktur, Verfahren zur Schätzung einer Atomstruktur und Programm zur Schätzung einer Atomstruktur

Details

Veröffentlichungs-Nr.

EP4773074

Anmeldetag

30. August 2024

Veröffentlichung

6. März 2025

Rechtsraum

EP

IPC

G06T7/00, G16C10/00, G16C20/40

Abstract

(Solving Means) There is provided an atomic structure estimation apparatus for a biomolecule, including a generation unit which generates a generation image based on a target biomolecule; an acquisition unit which acquires, from a plurality of prepared atomic structures, a plurality of first candidate structure images based on two-dimensional projection images; a global search unit which selects, as a basic candidate structure, an atomic structure that has a high degree of similarity to the target biomolecule in structure and/or molecular orientation, from among a plurality of candidate structures of atomic structures, based on a degree of similarity between the generation image and a candidate structure image which is included in the plurality of first candidate structure images; and a local search unit which acquires a plurality of second candidate structure images based on two-dimensional projection images of a plurality of modified atomic structures obtained by modifying the basic candidate structure, and selects an atomic structure that has a high degree of similarity to the target biomolecule in structure and/or molecular orientation, from among the modified atomic structures, based on a degree of similarity between a second candidate structure image which is included in the plurality of second candidate structure images and the generation image.

Anmelder

Firma

RIKEN

Land

🇯🇵 Japan

Fachgebiete