Related papers: Virtual reality based approach to protein heavy-at…
Protein-protein interaction networks (PPIN) enable the study of cellular processes in organisms. Visualizing PPINs in extended reality (XR), including virtual reality (VR) and mixed reality (MR), is crucial for exploring subnetworks,…
Virtual reality (VR) enables data visualization in an immersive and engaging manner, and it can be used for creating ways to explore scientific data. Here, we use VR for visualization of 3D histology data, creating a novel interface for…
Predicting protein structure from amino acid sequence is one of the most important unsolved problems of molecular biology and biophysics.Not only would a successful prediction algorithm be a tremendous advance in the understanding of the…
In the last fifteen years several techniques based on the holographic principle have been developed for the study of the 3D local order in solids. These methods use various particles: electrons, hard x-ray photons, gamma photons, or…
We consider the imaging problem of the reconstruction of a three-dimensional object via optical diffraction tomography under the assumptions of the Born approximation. Our focus lies in the situation that a rigid object performs an…
We simulated the Coulomb explosion dynamics due to the fast ionization induced by high-intensity X-rays in six proteins that share similar atomic content and shape. We followed and projected the trajectory of the fragments onto a virtual…
Visual localization is a core component in many applications, including augmented reality (AR). Localization algorithms compute the camera pose of a query image w.r.t. a scene representation, which is typically built from images. This often…
Transferring human motion and appearance between videos of human actors remains one of the key challenges in Computer Vision. Despite the advances from recent image-to-image translation approaches, there are several transferring contexts…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
Proteins are essential for life, and their structure determines their function. The protein secondary structure is formed by the folding of the protein primary structure, and the protein tertiary structure is formed by the bending and…
Determining the 3D structures of proteins is essential in understanding their behavior in the cellular environment. Computational methods of predicting protein structures have advanced, but assessing prediction accuracy remains a challenge.…
The local structure of a protein strongly impacts its function and interactions with other molecules. Therefore, a concise, informative representation of a local protein environment is essential for modeling and designing proteins and…
Visual relocalization has been a widely discussed problem in 3D vision: given a pre-constructed 3D visual map, the 6 DoF (Degrees-of-Freedom) pose of a query image is estimated. Relocalization in large-scale indoor environments enables…
The correct prediction of protein secondary structures is one of the key issues in predicting the correct protein folded shape, which is used for determining gene function. Existing methods make use of amino acids properties as indices to…
We present an efficient algorithm to recover the three dimensional structure of a protein from its contact map representation. First we show that when a physically realizable map is used as target, our method generates a structure whose…
This paper reports a method allowing for the determination of the shape of deformed fiber-like objects. Compared to existing methods, it provides analytical results including the local slope and curvature which are of first importance, for…
As the size of accessible compound libraries expands to over 10 billion, the need for more efficient structure-based virtual screening methods is emerging. Different pre-screening methods have been developed for rapid screening, but there…
We investigate the fine structure of the sp3 hybridized covalent bond geometry that governs the tetrahedral architecture around the central C$_\alpha$ carbon of a protein backbone, and for this we develop new visualization techniques to…
The virtual element method (VEM) allows discretization of the problem domain with polygons in 2D. The polygons can have an arbitrary number of sides and can be concave or convex. These features, among others, are attractive for meshing…
It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…