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Nuclear magnetic resonance (NMR) spectroscopy is one of the leading techniques for protein studies. The method features a number of properties, allowing to explain macromolecular interactions mechanistically and resolve structures with…

Quantitative Methods · Quantitative Biology 2018-08-03 Piotr Klukowski , Adam Gonczarek

Super-resolution microscopy is crucial for imaging sub-wavelength biological structures. However, most techniques rely on nonlinear saturation or stochastic switching of emitters, limiting imaging speed and increasing phototoxicity. Here,…

Single biomolecular imaging using XFEL radiation is an emerging method for protein structure determination using the "diffraction before destruction" method at near atomic resolution. Crucial parameters for such bio-imaging experiments are…

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms…

Computer Vision and Pattern Recognition · Computer Science 2017-09-13 Benjamin Berkels , Benedikt Wirth

It has been argued that in atomic-resolution transmission electron microscopy (TEM) of sparse weakly scattering structures, such as small biological molecules, multiple electron scattering usually has only a small effect, while the…

Optics · Physics 2021-11-16 T. E. Gureyev , H. M. Quiney , A. Kozlov , D. M. Paganin , G. Schmalz , L. J. Allen

We study the local distortion of the atomic structure in small biological samples illuminated by x-ray free electron laser (XFEL) pulses. We concentrate on the effect of inhomogenities: heavy atoms in a light matrix and non-homogeneous…

Atomic and Molecular Clusters · Physics 2015-05-13 Zoltan Jurek , Gyula Faigel

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li

In this article we formulate and solve the problem of molecular beam diffraction when each molecule consists of two interacting bodies. Then, using our results, we present the diffraction patterns for various molecular sizes employing the…

Quantum Physics · Physics 2020-06-30 D. Condado , J. I. Castro-Alatorre , E. Sadurní

Super-resolution microscopy has revolutionized the fields of chemistry and biology by resolving features at the molecular level. Such techniques can be either "stochastic," gaining resolution through precise localization of point source…

Quantum Gases · Physics 2019-04-09 Mickey McDonald , Jonathan Trisnadi , Kai-Xuan Yao , Cheng Chin

Structured illumination microscopy (SIM) uses a set of images captured with different illumination patterns to computationally reconstruct resolution beyond the diffraction limit. Here, we propose an alternative approach using a single…

Optics · Physics 2025-06-17 Ruiming Cao , Guanghan Meng , Laura Waller

To be able to resolve molecular-clusters it is crucial to access vital informations (such as, molecule density and cluster-size) that are key to understand disease progression and the underlying mechanism. Traditional single-molecule…

Quantitative Methods · Quantitative Biology 2021-01-27 Partha Pratim Mondal

Various techniques have been developed to measure the 2D and 3D positions and 2D and 3D orientations of fluorescent molecules with improved precision over standard epifluorescence microscopes. Due to the challenging signal-to-background…

Optics · Physics 2021-02-02 Oumeng Zhang , Matthew D. Lew

Advances in microscopy imaging enable researchers to visualize structures at the nanoscale level thereby unraveling intricate details of biological organization. However, challenges such as image noise, photobleaching of fluorophores, and…

Image and Video Processing · Electrical Eng. & Systems 2024-09-19 Pamela Osuna-Vargas , Maren H. Wehrheim , Lucas Zinz , Johanna Rahm , Ashwin Balakrishnan , Alexandra Kaminer , Mike Heilemann , Matthias Kaschube

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

A new method for solving small X-ray structures with up to couple of hundreds of atoms in the unit cell has been developed. The method works by locating atoms one-by-one via global minimization of a newly defined single-atom R1 factor in…

Data Analysis, Statistics and Probability · Physics 2024-03-21 Xiaodong Zhang

The microscopic orientation and position of photoactive molecules is crucial to the operation of optoelectronic devices such as OLEDs and solar cells. Here, we introduce a shape-persistent macrocyclic molecule as an excellent fluorescent…

Structured illumination microscopy (SIM) improves resolution by down-modulating high-frequency information of an object to fit within the passband of the optical system. Generally, the reconstruction process requires prior knowledge of the…

Computer Vision and Pattern Recognition · Computer Science 2017-01-13 Li-Hao Yeh , Lei Tian , Laura Waller

Single molecule localization microscopy is a recently developed superresolution imaging technique to visualize structural properties of single cells. The basic principle consists in chemically attaching fluorescent dyes to the molecules,…

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Martijn Oldenhof , Edward De Brouwer , Adam Arany , Yves Moreau

I review single-molecule experiments (SME) in biological physics. Recent technological developments have provided the tools to design and build scientific instruments of high enough sensitivity and precision to manipulate and visualize…

Soft Condensed Matter · Physics 2016-08-31 F. Ritort
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