Related papers: NOE-less protein structures-an alternative paradig…
We propose a new Bayesian model for flexible nonlinear regression and classification using tree ensembles. The model is based on the RuleFit approach in Friedman and Popescu (2008) where rules from decision trees and linear terms are used…
We investigate pionless effective field theory (\nopieft) with finite-cutoff regularization as a framework for describing few-nucleon systems. This formulation incorporates effective-range effects already at leading order (LO), thereby…
Objective: To propose and validate an unsupervised MRI reconstruction method that does not require fully sampled k-space data. Materials and Methods: The proposed method, deep image prior with structured sparsity (DISCUS), extends the deep…
We developed a novel method based on the Fourier analysis of protein molecular surfaces to speed up the analysis of the vast structural data generated in the post-genomic era. This method computes the power spectrum of surfaces of the…
The paper presents a geometrical model for protein secondary structure analysis which uses only the positions of the $C_{\alpha}$-atoms. We construct a space curve connecting these positions by piecewise polynomial interpolation and…
Deep convolutional neural networks (CNN) proved to be highly accurate to perform anatomical segmentation of medical images. However, some of the most popular CNN architectures for image segmentation still rely on post-processing strategies…
Recent work on complex networks compared the topological and electrical structures of the power grid, taking into account the underlying physical laws that govern the electrical connectivity between various components in the network. A…
We study the conformational freedom of a protein made by two rigid domains connected by a flexible linker. The conformational freedom is represented as an unknown probability distribution on the space of allowed states. A new algorithm for…
Cryo-electron microscopy (cryo-EM) emerges as a pivotal technology for determining the architecture of cells, viruses, and protein assemblies at near-atomic resolution. Traditional particle picking, a key step in cryo-EM, struggles with…
We employ physics-informed neural networks (PINNs) to quantify the microstructure of a polycrystalline Nickel by computing the spatial variation of compliance coefficients (compressibility, stiffness and rigidity) of the material. The PINN…
Neutron powder diffraction has been used to investigate the structural and magnetic behavior of the isoelectronically doped Fe pnictide material PrFe1-xRuxAsO. Substitution of Ru for Fe suppresses the structural and magnetic phase…
A novel uracil-DNA degrading protein factor (termed UDE) was identified in Drosophila melanogaster with no significant structural and functional homology to other uracil-DNA binding or processing factors. Determination of the 3D structure…
Modern cancer genomics datasets involve widely varying sizes and scales, measurement variables, and correlation structures. A fundamental analytical goal in these high-throughput studies is the development of general statistical techniques…
One of the main trend in to date research and development is the miniaturization of electronic devices. In this perspective, integrated nanodevices based on proteins or biomolecules are attracting a major interest. In fact, it has been…
The helimagnet FeP is part of a family of binary pnictide materials with the MnP-type structure which share a nonsymmorphic crystal symmetry that preserves generic band structure characteristics through changes in elemental composition. It…
After the recent ground-breaking advances in protein structure prediction, one of the remaining challenges in protein machine learning is to reliably predict distributions of structural states. Parametric models of fluctuations are…
Structural relationships among proteins are important in the study of their evolution as well as in drug design and development. The protein 3D structure has been shown to be effective with respect to classifying proteins. Prior work has…
Purpose: We present a new morphometric measure of trabecular bone microarchitecture, called mean node strength (NdStr), which is part of a newly developed approach called long range node-strut analysis. Our general aim is to describe and…
As the number of solved protein structures increases, the opportunities for meta-analysis of this dataset increase too. Protein structures are known to be formed of domains; structural and functional subunits that are often repeated across…
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…