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Equilibrating proteins and other biomacromolecules is cardinal for molecular dynamics simulation of such biological systems in which they perform free dynamics without any externally-applied mechanical constraint, until thermodynamic…

Soft Condensed Matter · Physics 2021-02-11 Ashkan Shekaari , Mahmoud Jafari

The microstructure critically governs the properties of materials used in energy and chemical engineering technologies, from catalysts and filters to thermal insulators and sensors. Therefore, accurate design is based on quantitative…

Computational Engineering, Finance, and Science · Computer Science 2026-01-29 Maksym Szemer , Szymon Buchaniec , Grzegorz Brus

Super-resolution imaging techniques have largely improved our capabilities to visualize nanometric structures in biological systems. Their application further enables one to potentially quantitate relevant parameters to determine the…

Biological Physics · Physics 2019-12-18 Tina Kosǔta , Marta Cullell-Dalmau , Francesca Cella Zanacchi , Carlo Manzo

Computational methods have reshaped the landscape of modern biology. While the biomedical community is increasingly dependent on computational tools, the mechanisms ensuring open data, open software, and reproducibility are variably…

Other Quantitative Biology · Quantitative Biology 2020-07-28 Jaqueline J. Brito , Jun Li , Jason H. Moore , Casey S. Greene , Nicole A. Nogoy , Lana X. Garmire , Serghei Mangul

Numerical homogenization, i.e. the finite-dimensional approximation of solution spaces of PDEs with arbitrary rough coefficients, requires the identification of accurate basis elements. These basis elements are oftentimes found after a…

Numerical Analysis · Mathematics 2015-05-12 Houman Owhadi

Classical population genetics a priori assigns fitness to alleles without considering molecular or functional properties of proteins that these alleles encode. Here we study population dynamics in a model where fitness can be inferred from…

Biomolecules · Quantitative Biology 2007-05-29 Konstantin Zeldovich , Peiqiu Chen , Eugene Shakhnovich

In recent years, an abundance of new molecular structures have been elucidated using cryo-electron microscopy (cryo-EM), largely due to advances in hardware technology and data processing techniques. Owing to these new exciting…

Information Theory · Computer Science 2020-04-22 Tamir Bendory , Alberto Bartesaghi , Amit Singer

Bacterial cellulose biofilms are complex networks of strong interwoven nanofibers that control transport and protect bacterial colonies in the film. Design of diverse applications of bacterial cellulose films also relies on understanding…

Soft Condensed Matter · Physics 2022-06-09 Firoozeh Babayekhorasani , Maryam Hosseini , Patrick T. Spicer

As key elements within the central dogma, DNA, RNA, and proteins play crucial roles in maintaining life by guaranteeing accurate genetic expression and implementation. Although research on these molecules has profoundly impacted fields like…

Material electromagnetic duality symmetry requires a system to have equal electric and magnetic responses. Electromagnetic duality enables technologically important effects like artificial optical activity and zero back-scattering, is a…

Improving the detailed understanding of the underlying properties and functions of biomolecules has recently attracted growing interest, enabled by the possibility of real-space imaging of single, intact macromolecules using Scanning…

Mesoscale and Nanoscale Physics · Physics 2026-03-10 Tim J. Seifert , Dhaneesh Kumar , Markus Etzkorn , Stephan Rauschenbach , Klaus Kern , Kelvin Anggara , Uta Schlickum

The simulation of the metabolism in mammalian cells becomes a severe problem if spatial distributions must be taken into account. Especially the cytoplasm has a very complex geometric structure which cannot be handled by standard…

Numerical Analysis · Mathematics 2010-03-01 Michael Hanke , Marry-Chriz Cabauatan-Villanueva

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

Electron tomography in materials science has flourished with the demand to characterize nanoscale materials in three dimensions (3D). Access to experimental data is vital for developing and validating reconstruction methods that improve…

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…

Computer Vision and Pattern Recognition · Computer Science 2016-11-18 Marcus A. Brubaker , Ali Punjani , David J. Fleet

We demonstrate the use of holographic video microscopy to detect individual subvisible particles dispersed in biopharmaceutical formulations and to differentiate them based on material characteristics measured from their holograms. The…

In this paper homogenization of a mathematical model for plant tissue biomechanics is presented. The microscopic model constitutes a strongly coupled system of reaction-diffusion-convection equations for chemical processes in plant cells,…

Analysis of PDEs · Mathematics 2017-08-24 Andrey Piatnitski , Mariya Ptashnyk

To store information at extremely high-density and data-rate, we propose to adapt, integrate, and extend the techniques developed by chemists and molecular biologists for the purpose of manipulating biological and other macromolecules. In…

Emerging Technologies · Computer Science 2017-08-29 M. Mansuripur , P. K. Khulbe , S. M. Kuebler , J. W. Perry , M. S. Giridhar , J. Kevin Erwin , Kibyung Seong , Seth Marder , N. Peyghambarian

Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational diversity of dynamic biomolecular complexes, often requiring…

Machine Learning · Computer Science 2025-12-02 Rishwanth Raghu , Axel Levy , Gordon Wetzstein , Ellen D. Zhong

Biosystems contain an almost infinite amount of vital important details, which together ensure their life. There are, however, some common structures and reactions in the systems: the homochirality of carbohydrates and proteins, the…

Biomolecules · Quantitative Biology 2018-03-06 Soren Toxvaerd