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Single particle cryo-electron microscopy (EM) is an increasingly popular method for determining the 3-D structure of macromolecules from noisy 2-D images of single macromolecules whose orientations and positions are random and unknown. One…

Computer Vision and Pattern Recognition · Computer Science 2017-04-11 Roy R. Lederman , Amit Singer

Atom probe tomography (APT) provides the three-dimensional composition of materials at near-atomic length scales, achieving detection limits in the range of tens of atomic parts-per-million regardless of element type. APT requires the…

In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

Aligning electron density maps from Cryogenic electron microscopy (cryo-EM) is a first key step for studying multiple conformations of a biomolecule. As this step remains costly and challenging, with standard alignment tools being…

Biomolecules · Quantitative Biology 2022-10-19 A. Tajmir Riahi , G. Woollard , F. Poitevin , A. Condon , K. Dao Duc

Protein function and activity are a consequence of its three-dimensional structure. Single particle analysis of cryogenic electron micrographs has radically changed structural biology allowing atomic reconstruction of almost any type of…

Biomolecules · Quantitative Biology 2019-07-09 Gabriele Marchello , Cesare De Pace , Neil Wilkinson , Lorena Ruiz-Perez , Giuseppe Battaglia

Principal component analysis (PCA) plays an important role in the analysis of cryo-EM images for various tasks such as classification, denoising, compression, and ab-initio modeling. We introduce a fast method for estimating a compressed…

Numerical Analysis · Mathematics 2022-11-01 Nicholas F. Marshall , Oscar Mickelin , Yunpeng Shi , Amit Singer

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…

Machine Learning · Computer Science 2026-05-12 Jay Shenoy , Miro Astore , Axel Levy , Frédéric Poitevin , Sonya M. Hanson , Gordon Wetzstein

Motivation: Cellular Electron CryoTomography (CECT) enables 3D visualization of cellular organization at near-native state and in sub-molecular resolution, making it a powerful tool for analyzing structures of macromolecular complexes and…

Quantitative Methods · Quantitative Biology 2017-04-14 Min Xu , Xiaoqi Chai , Hariank Muthakana , Xiaodan Liang , Ge Yang , Tzviya Zeev-Ben-Mordehai , Eric Xing

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…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Bongjin Koo , Julien Martel , Ariana Peck , Axel Levy , Frédéric Poitevin , Nina Miolane

The single-particle cryo-EM field faces the persistent challenge of preferred orientation, lacking general computational solutions. We introduce cryoPROS, an AI-based approach designed to address the above issue. By generating the auxiliary…

Biomolecules · Quantitative Biology 2023-09-27 Hui Zhang , Dihan Zheng , Qiurong Wu , Nieng Yan , Zuoqiang Shi , Mingxu Hu , Chenglong Bao

Advances on cryo-electron imaging technologies have led to a rapidly increasing number of density maps. Alignment and comparison of density maps play a crucial role in interpreting structural information, such as conformational…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Bintao He , Fa Zhang , Chenjie Feng , Jianyi Yang , Xin Gao , Renmin Han

Transmission electron microscopy (TEM) is a potent technique for the determination of three-dimensional atomic scale structure of samples in structural biology and materials science. In structural biology, three-dimensional structures of…

A single-particle cryo-electron microscopy (cryo-EM) measurement, called a micrograph, consists of multiple two-dimensional tomographic projections of a three-dimensional (3-D) molecular structure at unknown locations, taken under unknown…

Image and Video Processing · Electrical Eng. & Systems 2026-03-10 Shay Kreymer , Amit Singer , Tamir Bendory

Single-particle cryo-electron microscopy (cryo-EM) is an emerging imaging modality capable of visualizing proteins and macro-molecular complexes at near-atomic resolution. The low electron-doses used to prevent sample radiation damage,…

Image and Video Processing · Electrical Eng. & Systems 2020-11-24 Qinwen Huang , Ye Zhou , Xiaochen Du , Reed Chen , Jianyou Wang , Cynthia Rudin , Alberto Bartesaghi

Crystals and other condensed phases are defined primarily by their inherent symmetries, which play a crucial role in dictating their structural properties. In crystallization studies, local order parameters (OPs) that describe bond…

Computational Physics · Physics 2026-04-10 Domagoj Fijan , Maria R. Ward Rashidi , Jenna Bradley , Sharon C. Glotzer

The folding and structure of biomacromolecules depend on the 3D distributions of their constituents, which ultimately controls their functionalities and interactions with other biomacromolecules. Atom probe tomography (APT) with its…

Cryo-electron microscopy provides 2-D projection images of the 3-D electron scattering intensity of many instances of the particle under study (e.g., a virus). Both symmetry (rotational point groups) and heterogeneity are important aspects…

Applications · Statistics 2019-05-17 Nan Xu , Peter C Doerschuk

Understanding the architecture of the human heart requires analysis of its microstructural organization across scales. With the advent of high-resolution imaging techniques such as synchrotron-based tomography, it has become possible to…

Computational Engineering, Finance, and Science · Computer Science 2025-08-12 Joseph Brunet , Lisa Chestnutt , Matthieu Chourrout , Hector Dejea , Vaishnavi Sabarigirivasan , Peter D. Lee , Andrew C. Cook

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…

Biomolecules · Quantitative Biology 2023-04-04 Nabin Giri , Raj S. Roy , Jianlin Cheng

In many imaging applications it is important to assess how well the edges of the original object, $f$, are resolved in an image, $f^\text{rec}$, reconstructed from the measured data, $g$. In this paper we consider the case of image…

Statistics Theory · Mathematics 2025-06-23 Anuj Abhishek , Alexander Katsevich , James W. Webber