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Sorting, filtering, moving and controlling colloidal particles is crucial in many fields, ranging from chemistry to biology and physics. Dielectrophoresis is an outstanding tool for the manipulation of small particles by AC electric fields,…
We consider the problem of estimating an unbiased and reference-free ab-inito model for non-symmetric molecules from images generated by single-particle cryo-electron microscopy. The proposed algorithm finds the globally optimal assignment…
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…
There is a clear need for developments in characterisation techniques that provide detailed information about structure-function relationships in biology. Using electron microscopy to achieve high resolution while maintaining a broad field…
Proteins typically undergo conformational dynamics on the microsecond to millisecond timescale as they perform their function, which is much faster than the time-resolution of cryo-electron microscopy and has thus prevented real-time…
Accurate molecular geometries are a prerequisite for reliable quantum-chemical predictions, yet density functional theory (DFT) optimization remains a major bottleneck for high-throughput molecular screening. Here we present GeoOpt-Net, a…
A major limitation of two-dimensional scanning electron microscopy (SEM) in imaging porous membranes is its inability to resolve three-dimensional pore architecture and interconnectivity, which are critical factors governing membrane…
Structural flexibility and/or dynamic interactions with other molecules is a critical aspect of protein function. CryoEM provides direct visualization of individual macromolecules sampling different conformational and compositional states.…
We reconstruct a 3D model of the surface of a material undergoing fatigue testing and experiencing cracking. Specifically we reconstruct the surface depth (out of plane intrusions and extrusions) and lateral (in-plane) motion from multiple…
Cryogenic Electron Tomography (CryoET) is a useful imaging technology in structural biology that is hindered by its need for manual annotations, especially in particle picking. Recent works have endeavored to remedy this issue with few-shot…
Object-level 3D reconstruction play important roles across domains such as cultural heritage digitization, industrial manufacturing, and virtual reality. However, existing Gaussian Splatting-based approaches generally rely on full-scene…
Spectral element methods (SEM), which are extensions of finite element methods (FEM), are important emerging techniques for solving partial differential equations in physics and engineering. SEM can potentially deliver better accuracy due…
Protein complexes are macromolecules essential to the functioning and well-being of all living organisms. As the structure of a protein complex, in particular its region of interaction between multiple protein subunits (i.e., chains), has a…
Reconstructing 3D assets from images has long required separate pipelines for geometry reconstruction, material estimation, and illumination recovery, each with distinct limitations and computational overhead. We present ReLi3D, the first…
The interaction of a protein with its environment can be understood and controlled via its 3D structure. Experimental methods for protein structure determination, such as X-ray crystallography or cryogenic electron microscopy, shed light on…
A novel and highly efficient computational framework for reconstructing binary-type images suitable for models of various complexity seen in diverse biomedical applications is developed and validated. Efficiency in computational speed and…
Note: The final version of this article was published in Computers and Geosciences, Volume 206, January 2026, 106038. DOI: 10.1016/j.cageo.2025.106038. Readers should refer to the published version for the most up-to-date content.…
Understanding the structure of a protein complex is crucial indetermining its function. However, retrieving accurate 3D structures from microscopy images is highly challenging, particularly as many imaging modalities are two-dimensional.…
Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is particularly well suited to determine the 3D structure of particles in their native environment. For a successful reconstruction, diffraction patterns originating from a…
Cryo-electron microscopy (cryo-EM) has emerged as a powerful technique for resolving the three-dimensional structures of macromolecules. A key challenge in cryo-EM is characterizing continuous heterogeneity, where molecules adopt a…