Methods and systems for reconstruction of three-dimensional structure and three-dimensional motion of a protein molecule
US12362037B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Apr 21, 2022 |
| Grant date | Jul 15, 2025 |
| Priority date | — |
| Expiry date | Apr 21, 2042 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/20
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Provided are systems and methods for determining 3D structure and 3D motion of a protein molecule from 2D or 3D particle observation images. The method includes: initializing pose parameters and unknown model parameters; performing image formation which includes: generating one or more 3D deformation fields by inputting a latent coordinate vector into the one or more flow generators; performing a convection and projection operation; and performing CTF corruption; fitting the unknown model parameters to the experimental images by gradient-based optimization of an objective function; latent variable search for a given experimental image which includes: performing the image formation one or more times to generate simulated images; and selecting one or more latent coordinate vectors based on similarity; and updating the at least one of the unknown model parameters which includes: generating simulated images; and evaluating the objective function; computing the gradient of the objective function.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.