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We present a geometry-aware method for heterogeneous single-particle cryogenic electron microscopy (cryo-EM) reconstruction that predicts atomic backbone conformations. To incorporate protein-structure priors, we represent the backbone as a…

计算机视觉与模式识别 · 计算机科学 2026-03-09 Jonathan Krook , Axel Janson , Joakim Andén , Melanie Weber , Ozan Öktem

The three-dimensional structure of proteins plays a crucial role in determining their function. Protein structure prediction methods, like AlphaFold, offer rapid access to a protein structure. However, large protein complexes cannot be…

生物大分子 · 定量生物学 2025-03-05 Gabriel Ducrocq , Lukas Grunewald , Sebastian Westenhoff , Fredrik Lindsten

Cryogenic electron microscopy (cryo-EM) has transformed structural biology by allowing to reconstruct 3D biomolecular structures up to near-atomic resolution. However, the 3D reconstruction process remains challenging, as the 3D structures…

计算机视觉与模式识别 · 计算机科学 2023-07-18 Bongjin Koo , Julien Martel , Ariana Peck , Axel Levy , Frédéric Poitevin , Nina Miolane

Cryo-electron microscopy (Cryo-EM) enables high-resolution imaging of biomolecules, but structural heterogeneity remains a major challenge in 3D reconstruction. Traditional methods assume a discrete set of conformations, limiting their…

机器学习 · 统计学 2025-09-09 Diego Sanchez Espinosa , Erik H Thiede , Yunan Yang

Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…

计算物理 · 物理学 2020-04-01 Amit Singer , Fred J. Sigworth

We consider the problem of recovering the three-dimensional atomic structure of a flexible macromolecule from a heterogeneous cryo-EM dataset. The dataset contains noisy tomographic projections of the electrostatic potential of the…

图像与视频处理 · 电气工程与系统科学 2023-02-08 Carlos Esteve-Yagüe , Willem Diepeveen , Ozan Öktem , Carola-Bibiane Schönlieb

Cryo-Electron Microscopy (cryo-EM) has emerged as a key technology to determine the structure of proteins, particularly large protein complexes and assemblies in recent years. A key challenge in cryo-EM data analysis is to automatically…

生物大分子 · 定量生物学 2023-04-04 Nabin Giri , Raj S. Roy , Jianlin Cheng

A major challenge in single-particle cryo-electron microscopy (cryo-EM) is that the orientations adopted by the 3D particles prior to imaging are unknown; yet, this knowledge is essential for high-resolution reconstruction. We present a…

机器学习 · 计算机科学 2021-04-14 Jelena Banjac , Laurène Donati , Michaël Defferrard

Cryo-electron microscopy (cryo-EM) allows for the high-resolution reconstruction of 3D structures of proteins and other biomolecules. Successful reconstruction of both shape and movement greatly helps understand the fundamental processes of…

计算机视觉与模式识别 · 计算机科学 2023-10-12 Xinhang Liu , Yan Zeng , Yifan Qin , Hao Li , Jiakai Zhang , Lan Xu , Jingyi Yu

Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the structure of proteins and other macromolecular complexes at near-atomic resolution. In single particle cryo-EM, the central problem is to reconstruct the…

定量方法 · 定量生物学 2020-02-18 Ellen D. Zhong , Tristan Bepler , Joseph H. Davis , Bonnie Berger

Single-particle electron cryomicroscopy is an essential tool for high-resolution 3D reconstruction of proteins and other biological macromolecules. An important challenge in cryo-EM is the reconstruction of non-rigid molecules with parts…

图像与视频处理 · 电气工程与系统科学 2021-05-31 Amit Moscovich , Amit Halevi , Joakim Andén , Amit Singer

Discovering the 3D atomic structure of molecules such as proteins and viruses is a fundamental research problem in biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising vision-based technique for structure estimation which…

计算机视觉与模式识别 · 计算机科学 2016-11-18 Marcus A. Brubaker , Ali Punjani , David J. Fleet

Single particle cryo-electron microscopy has become a critical tool in structural biology over the last decade, able to achieve atomic scale resolution in three dimensional models from hundreds of thousands of (noisy) two-dimensional…

数值分析 · 数学 2023-07-19 Aaditya V. Rangan , Leslie Greengard

We propose a framework to jointly determine the deformation parameters and reconstruct the unknown volume in electron cryotomography (CryoET). CryoET aims to reconstruct three-dimensional biological samples from two-dimensional projections.…

图像与视频处理 · 电气工程与系统科学 2023-10-17 Valentin Debarnot , Sidharth Gupta , Konik Kothari , Ivan Dokmanic

Cryogenic electron microscopy (cryo-EM) provides images from different copies of the same biomolecule in arbitrary orientations. Here, we present an end-to-end unsupervised approach that learns individual particle orientations from cryo-EM…

图像与视频处理 · 电气工程与系统科学 2021-07-08 Youssef S. G. Nashed , Frederic Poitevin , Harshit Gupta , Geoffrey Woollard , Michael Kagan , Chuck Yoon , Daniel Ratner

Cryo-electron microscopy (cryo-EM) is an indispensable technique for determining the 3D structures of dynamic biomolecular complexes. While typically applied to image a single molecular species, cryo-EM has the potential for structure…

计算机视觉与模式识别 · 计算机科学 2026-03-23 Jeffrey Gu , Minkyu Jeon , Ambri Ma , Serena Yeung-Levy , Ellen D. Zhong

Single-particle cryo-electron microscopy (cryo-EM) has recently joined X-ray crystallography and NMR spectroscopy as a high-resolution structural method to resolve biological macromolecules. In a cryo-EM experiment, the microscope produces…

信息论 · 计算机科学 2022-10-28 Tamir Bendory , Nicolas Boumal , William Leeb , Eitan Levin , Amit Singer

Cryo-electron microscopy (cryo-EM) is an experimental technique for protein structure determination that images an ensemble of macromolecules in near-physiological contexts. While recent advances enable the reconstruction of dynamic…

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

Determining the three-dimensional structure of proteins and protein complexes at atomic resolution is a fundamental task in structural biology. Over the last decade, remarkable progress has been made using "single particle" cryo-electron…

数值分析 · 数学 2017-06-05 Alex Barnett , Leslie Greengard , Andras Pataki , Marina Spivak
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