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The inner structure of a material is called microstructure. It stores the genesis of a material and determines all its physical and chemical properties. While microstructural characterization is widely spread and well known, the…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Seyed Majid Azimi , Dominik Britz , Michael Engstler , Mario Fritz , Frank Mücklich

Motivation: Cryo-Electron Tomography (cryo-ET) is a 3D bioimaging tool that visualizes the structural and spatial organization of macromolecules at a near-native state in single cells, which has broad applications in life science. However,…

Quantitative Methods · Quantitative Biology 2021-07-28 Xuefeng Du , Haohan Wang , Zhenxi Zhu , Xiangrui Zeng , Yi-Wei Chang , Jing Zhang , Min Xu

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Cryo-electron tomography (cryo-ET) provides a unique window into molecular organization in cellular environments (in situ). However, the interpretation of molecular structural information is complicated by several intrinsic properties of…

Biomolecules · Quantitative Biology 2026-02-17 Slavica Jonic

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Alexander Hudson , Shaogang Gong

Cryo-EM data processing typically focuses on the structure of the main conformational state under investigation and discards images that belong to other states. This approach can reach atomic resolution, but ignores vast amounts of valuable…

Biomolecules · Quantitative Biology 2024-02-20 Felix Lambrecht , Andreas Kröpelin , Mario Lüttich , Michael Habeck , David Haselbach , Holger Stark

Differentiating signals from the background in micrographs is a critical initial step for cryogenic electron microscopy (cryo-EM), yet it remains laborious due to low signal-to-noise ratio (SNR), the presence of contaminants and densely…

Image and Video Processing · Electrical Eng. & Systems 2025-09-30 Szu-Chi Chung , Po-Cheng Chou

Single particle electron cryomicroscopy (cryo-EM) allows for structures of proteins and protein complexes to be determined from images of non-crystalline specimens. Cryo-EM data analysis requires electron microscope images of randomly…

Instrumentation and Detectors · Physics 2015-11-23 Jianhua Zhao , Marcus A. Brubaker , Samir Benlekbir , John L. Rubinstein

A deep neural network based architecture was constructed to predict amino acid side chain conformation with unprecedented accuracy. Amino acid side chain conformation prediction is essential for protein homology modeling and protein design.…

Biomolecules · Quantitative Biology 2017-07-27 Ke Liu , Xiangyan Sun , Jun Ma , Zhenyu Zhou , Qilin Dong , Shengwen Peng , Junqiu Wu , Suocheng Tan , Günter Blobel , Jie Fan

Single-particle cryo-electron microscopy (cryo-EM) reconstructs the three-dimensional (3D) structure of bio-molecules from a large set of 2D projection images with random and unknown orientations. A crucial step in the single-particle…

Image and Video Processing · Electrical Eng. & Systems 2020-06-24 Mona Zehni , Laurène Donati , Emmanuel Soubies , Zhizhen J. Zhao , Michael Unser

Modeling the 3D structures of cells and tissues is crucial in biology. Sequential cross-sectional images from electron microscopy provide high-resolution intracellular structure information. The segmentation of complex cell structures…

Quantitative Methods · Quantitative Biology 2025-02-14 Jin Kousaka , Atsuko H. Iwane , Yuichi Togashi

This dissertation explores how deep generative models can advance the analysis of challenging biological problems by integrating domain knowledge with deep learning. It focuses on two areas: DNA reaction kinetics and cryogenic electron…

Machine Learning · Computer Science 2026-05-07 Chenwei Zhang

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…

Image and Video Processing · Electrical Eng. & Systems 2021-05-31 Amit Moscovich , Amit Halevi , Joakim Andén , Amit Singer

Single-particle cryo-electron microscopy (cryo-EM) has become a cornerstone of structural biology, enabling near-atomic resolution analysis of macromolecules through advanced computational methods. However, the development of cryo-EM…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Runmin Jiang , Genpei Zhang , Yuntian Yang , Siqi Wu , Minhao Wu , Wanyue Feng , Yizhou Zhao , Xi Xiao , Xiao Wang , Tianyang Wang , Xingjian Li , Muyuan Chen , Min Xu

The biological function of a protein stems from its 3-dimensional structure, which is thermodynamically determined by the energetics of interatomic forces between its amino acid building blocks (the order of amino acids, known as the…

Biomolecules · Quantitative Biology 2019-05-03 Sean Mullane , Ruoyan Chen , Sri Vaishnavi Vemulapalli , Eli J. Draizen , Ke Wang , Cameron Mura , Philip E. Bourne

Cryo-electron microscopy (cryo-EM) has recently emerged as a powerful tool for obtaining three-dimensional (3D) structures of biological macromolecules in native states. A minimum cryo-EM image data set for deriving a meaningful…

Applications · Statistics 2014-04-28 Ting-Li Chen , Dai-Ni Hsieh , Hung Hung , I-Ping Tu , Pei-Shien Wu , Yi-Ming Wu , Wei-Hau Chang , Su-Yun Huang

The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the…

Biomolecules · Quantitative Biology 2020-05-04 Mikael Trellet , Gydo van Zundert , Alexandre M. J. J. Bonvin

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…

Machine Learning · Statistics 2025-09-09 Diego Sanchez Espinosa , Erik H Thiede , Yunan Yang

The Cryo-EM 3D particle reconstruction is essential for identifying protein and uncover the biological mechanism of the macro-molecules. In this paper, we use Kam method for reconstruction. Kam method is \textit{ab-initio}, and it assumes…

Quantitative Methods · Quantitative Biology 2019-06-21 Yin Xian

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi
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