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Three-dimensional reconstruction of atomic structure, known as atomic electron tomography (AET), has found increasing applications in materials science. The AET has been limited to very small nanoparticles due to the challenges of obtaining…

材料科学 · 物理学 2024-01-24 Liangze Mao , Jizhe Cui , Rong Yu

A common task in cryo-electron microscopy (cryo-EM) data processing is to compare three-dimensional density maps of macromolecules. In this paper, we propose an algorithm for aligning three-dimensional density maps that exploits common…

图像与视频处理 · 电气工程与系统科学 2023-02-27 Yael Harpaz , Yoel Shkolnisky

The growing role of data-driven approaches to scientific discovery has unveiled a large class of models that involve latent transformations with a rigid algebraic constraint. Three-dimensional molecule reconstruction in Cryo-Electron…

信息论 · 计算机科学 2019-06-04 Amelia Perry , Jonathan Weed , Afonso S. Bandeira , Philippe Rigollet , Amit Singer

Electron tomography offers important three-dimensional (3D) structural information which cannot be observed by two-dimensional imaging. By combining annular dark field scanning transmission electron microscopy (ADF-STEM) with aberration…

材料科学 · 物理学 2023-06-29 Juhyeok Lee , Moosung Lee , YongKeun Park , Colin Ophus , Yongsoo Yang

The understanding of protein structure, folding, and interaction with other proteins remains one of the grand challenges of modern biology. Tremendous progress has been made thanks to X-ray- or electron-based techniques that have provided…

Electron Cryo-Tomography (ECT) allows 3D visualization of subcellular structures at the submolecular resolution in close to the native state. However, due to the high degree of structural complexity and imaging limits, the automatic…

定量方法 · 定量生物学 2019-08-08 Bo Zhou , Qiang Guo , Xiangrui Zeng , Min Xu

Particle picking is currently a critical step in the cryo-electron microscopy single particle reconstruction pipeline. Contaminations in the acquired micrographs severely degrade the performance of particle pickers, resulting is many…

计算机视觉与模式识别 · 计算机科学 2022-01-19 Amitay Eldar , Ido Amos , Yoel Shkolnisky

Understanding protein flexibility and its dynamic interactions with other molecules is essential for studying protein function. Although cryogenic electron microscopy(cryo-EM) provides an opportunity to observe macromolecular dynamics…

计算机视觉与模式识别 · 计算机科学 2026-02-03 Bintao He , Yiran Cheng , Hongjia Li , Xiang Gao , Xin Gao , Fa Zhang , Renmin Han

Knowledge of a protein's atomic conformational ensemble is critical to determining its function, yet state-of-the-art ensemble prediction models are limited by lack of high-quality conformational data from simulation or experiment. Recent…

机器学习 · 计算机科学 2026-05-12 Jay Shenoy , Miro Astore , Axel Levy , Frédéric Poitevin , Sonya M. Hanson , Gordon Wetzstein

Single-particle cryo-EM has transformed structural biology but still faces challenges in resolving conformational heterogeneity at atomic resolution. Existing cryo-EM heterogeneity analysis methods either lack atomic details or tend to…

生物大分子 · 定量生物学 2025-10-21 Chengwei Zhang , Shimian Li , Yihao Niu , Zhen Zhu , Sihao Yuan , Sirui Liu , Yi Qin Gao

Motivated by the task of 2-D classification in single particle reconstruction by cryo-electron microscopy (cryo-EM), we consider the problem of heterogeneous multireference alignment of images. In this problem, the goal is to estimate a…

图像与视频处理 · 电气工程与系统科学 2019-10-03 Chao Ma , Tamir Bendory , Nicolas Boumal , Fred Sigworth , Amit Singer

Cryo-electron microscopy (cryo-EM) is a widely used technique for recovering the 3-D structure of biological molecules from a large number of experimentally generated noisy 2-D tomographic projection images of the 3-D structure, taken from…

数值分析 · 数学 2025-11-17 Jeremy Hoskins , Yuehaw Khoo , Oscar Mickelin , Amit Singer , Yuguan Wang

One of the difficulties in 3D reconstruction of molecules from images in single particle Cryo-Electron Microscopy (Cryo-EM), in addition to high levels of noise and unknown image orientations, is heterogeneity in samples: in many cases, the…

计算机视觉与模式识别 · 计算机科学 2016-07-13 Roy R. Lederman , Amit Singer

The field of cryo-electron microscopy has made astounding advancements in the past few years, mainly due to advancements in electron detectors' technology. Yet, one of the key open challenges of the field remains the processing of…

计算机视觉与模式识别 · 计算机科学 2019-10-04 Yariv Aizenbud , Yoel Shkolnisky

Simulation-based inference provides a powerful framework for cryo-electron microscopy, employing neural networks in methods like CryoSBI to infer biomolecular conformations via learned latent representations. This latent space represents a…

定量方法 · 定量生物学 2025-09-05 Luke Evans , Octavian-Vlad Murad , Lars Dingeldein , Pilar Cossio , Roberto Covino , Marina Meila

Due to the extremely low signal-to-noise ratio (SNR) and unknown poses (projection angles and image shifts) in cryo-electron microscopy (cryo-EM) experiments, reconstructing 3D volumes from 2D images is very challenging. In addition to…

图像与视频处理 · 电气工程与系统科学 2024-04-24 Weijie Chen , Yuhang Wang , Lin Yao

Cryo-electron microscopy (EM) single particle reconstruction is an entirely general technique for 3D structure determination of macromolecular complexes. However, because the images are taken at low electron dose, it is extremely hard to…

计算机视觉与模式识别 · 计算机科学 2019-04-17 Yifeng Fan , Zhizhen Zhao

We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…

定量方法 · 定量生物学 2025-01-09 Deng Luo , Zainab Alsuwaykit , Dawar Khan , Ondřej Strnad , Tobias Isenberg , Ivan Viola

A practical method utilising three-dimensional image pattern matching is proposed which, in principle, is capable of unambiguous determination of the types and positions of atoms in small molecules from defocus series collected at only a…

图像与视频处理 · 电气工程与系统科学 2019-12-02 T. E. Gureyev , H. M. Quiney , A. Kozlov , L. J. Allen

We consider the problem in Electrical Impedance Tomography (EIT) of identifying one or multiple inclusions in a background-conducting body $\Omega\subset\mathbb{R}^2$, from the knowledge of a finite number of electrostatic measurements…

数值分析 · 数学 2025-02-07 Romina Gaburro , Patrick Healy , Shraddha Naidu , Clifford Nolan