English
Related papers

Related papers: Conformations of Macromolecules and their Complexe…

200 papers

A probabilistic clustering algorithm is proposed for the analysis of forensic DNA mixtures in which individual cells are isolated and short tandem repeats are amplified using the polymerase chain reaction to generate single cell…

Applications · Statistics 2025-10-14 Robert G. Cowell

Recently, sparsity-based algorithms are proposed for super-resolution spectrum estimation. However, to achieve adequately high resolution in real-world signal analysis, the dictionary atoms have to be close to each other in frequency,…

Machine Learning · Statistics 2015-06-05 Yiyuan She , Huanghuang Li , Jiangping Wang , Dapeng Wu

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert

Structural dynamics of macromolecules is critical to their structural-function relationship. Cryogenic electron microscopy (CryoEM) provides snapshots of vitrified protein at different compositional and conformational states, and the…

Quantitative Methods · Quantitative Biology 2026-01-27 Muyuan Chen , Muchen Li , Renjie Liao

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…

Image and Video Processing · Electrical Eng. & Systems 2019-12-02 T. E. Gureyev , H. M. Quiney , A. Kozlov , L. J. Allen

Quantifying the number of molecules from fluorescence microscopy measurements is an important topic in cell biology and medical research. In this work, we present a consecutive algorithm for super-resolution (STED) scanning microscopy that…

Applications · Statistics 2023-10-03 Katharina Proksch , Frank Werner , Jan Keller-Findeisen , Haisen Ta , Axel Munk

Order parameters based on spherical harmonics and Fourier coefficients already play a significant role in condensed matter research in the context of systems of spherical or point particles. Here, we extend these types of order parameter to…

Soft Condensed Matter · Physics 2010-12-22 Aaron S. Keys , Christopher R. Iacovella , Sharon C. Glotzer

The sensitivity of imaging spectroscopy to haemoglobin derivatives makes it a promising tool for detecting blood. However, due to complexity and high dimensionality of hyperspectral images, the development of hyperspectral blood detection…

Computer Vision and Pattern Recognition · Computer Science 2021-04-01 Michał Romaszewski , Przemysław Głomb , Arkadiusz Sochan , Michał Cholewa

The advent of X-ray Free Electron Lasers promises the possibility to determine the structure of individual particles such as microcrystallites, viruses and biomolecules from single-shot diffraction snapshots obtained before the particle is…

Soft Condensed Matter · Physics 2010-05-06 Brian Moths , Abbas Ourmazd

Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the…

Chemical Physics · Physics 2024-10-30 Marvin Alberts , Oliver Schilter , Federico Zipoli , Nina Hartrampf , Teodoro Laino

Analyzing microscopy images to extract biological object properties (e.g., their morphological organization, temporal dynamics, and population density) is fundamental to various biomedical research. Yet conducting this manually is costly…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Xiaofei Hui , Haoxuan Qu , Hossein Rahmani , Shuohong Wang , Jeff W. Lichtman , Jun Liu

Revealing the structure of complex biological macromolecules, such as proteins, is an essential step for understanding the chemical mechanisms that determine the diversity of their functions. Synchrotron based x-ray crystallography and…

Many living and non-living complex systems can be modeled and understood as collective systems made of heterogeneous components that self-organize and generate nontrivial morphological structures and behaviors. This chapter presents a brief…

Adaptation and Self-Organizing Systems · Physics 2018-01-09 Hiroki Sayama

In the paper we consider the linear underdetermined system of a special type. Systems of this type appear in non-homogeneous network flow programming problems in the form of systems of constraints and can be characterized as systems with a…

Optimization and Control · Mathematics 2008-07-04 Ludmila Pilipchuk , Eugene Vecharynski

In the reconstruction process of unknown multiple scattering objects in inverse medium scattering problems, the first important step is to effectively locate some approximate domains that contain all inhomogeneous media. Without such an…

Numerical Analysis · Mathematics 2015-06-12 Keji Liu , Jun Zou

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…

Image and Video Processing · Electrical Eng. & Systems 2023-02-08 Carlos Esteve-Yagüe , Willem Diepeveen , Ozan Öktem , Carola-Bibiane Schönlieb

Inspired by biology's most sophisticated computer, the brain, neural networks constitute a profound reformulation of computational principles. Remarkably, analogous high-dimensional, highly-interconnected computational architectures also…

Disordered Systems and Neural Networks · Physics 2024-01-23 Constantine Glen Evans , Jackson O'Brien , Erik Winfree , Arvind Murugan

The short pulses of X-ray free electron lasers can produce diffraction patterns with structural information before radiation damage destroys the particle. The particles are injected into the beam in random orientations and they should be…

Data Analysis, Statistics and Probability · Physics 2013-07-31 Miklós Tegze , Gábor Bortel

The Discrete Morse Theory of Forman appeared to be useful for providing filtration-preserving reductions of complexes in the study of persistent homology. So far, the algorithms computing discrete Morse matchings have only been used for…

Computational Geometry · Computer Science 2015-03-13 Madjid Allili , Tomasz Kaczynski , Claudia Landi

Diffractive lenses have recently been applied to the domain of multispectral imaging in the X-ray and UV regimes where they can achieve very high resolution as compared to reflective and refractive optics. Conventionally, spectral…

Image and Video Processing · Electrical Eng. & Systems 2020-05-26 Evan Widloski , Ulas Kamaci , Farzad Kamalabadi