Related papers: NOE-less protein structures-an alternative paradig…
We investigate the equation of state (EOS) of hyperonic neutron star (NS) matter within a density-dependent relativistic mean-field (DDRMF) framework. The effects of scalar, vector, and mixed density dependencies in meson-baryon couplings…
Fast and accurate protein structure prediction is one of the major challenges in structural biology, biotechnology and molecular biomedicine. These fields require 3D protein structures for rational design of proteins with improved or novel…
We construct a physically-parameterized probabilistic autoencoder (PAE) to learn the intrinsic diversity of type Ia supernovae (SNe Ia) from a sparse set of spectral time series. The PAE is a two-stage generative model, composed of an…
The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fundamental questions about the electronic structure and…
The Nyquist-Shannon theorem states that the information accessible by discrete Fourier protocols saturates when the sampling rate reaches twice the bandwidth of the detected continuous time signal. This maximum rate (the NS-limit) plays a…
Traditionally, neutron-$\gamma$ discrimination in organic scintillators relies on techniques such as time-of-flight (ToF) selection and pulse-shape discrimination (PSD). However, particle identification through graphical cuts remains…
The structure of proteins is essential for its function. The determination of protein structures is possible by experimental or predicted by computational methods, but also a combination of both approaches is possible. Here, first an…
A newly developed statistical pair potential based on Distance-scaled Finite Ideal-gas REference (DFIRE) state is applied to unbound protein-protein docking structure selections. The performance of the DFIRE energy function is compared to…
The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success…
Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by x-ray crystallography. A fundamental question is whether any observed differences…
Local structure of REOFeAs (RE=La, Pr, Nd, Sm) system has been studied as a function of chemical pressure varied due to different rare-earth size. Fe K-edge extended X-ray absorption fine structure (EXAFS) measurements in the fluorescence…
Protein rigidity and flexibility can be analyzed accurately and efficiently using the program FIRST. Previous studies using FIRST were designed to analyze the rigidity and flexibility of proteins using a single static (snapshot) structure.…
Physics-informed neural networks (PINNs) are revolutionizing science and engineering practice by bringing together the power of deep learning to bear on scientific computation. In forward modeling problems, PINNs are meshless partial…
Characterization of breast parenchyma in dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) is a challenging task owing to the complexity of underlying tissue structures. Existing quantitative approaches, like radiomics and deep…
The idea of this project is to study the protein structure and sequence relationship using the hidden markov model and artificial neural network. In this context we have assumed two hidden markov models. In first model we have taken protein…
Cryo-electron microscopy (cryoEM) is an increasingly popular method for protein structure determination. However, identifying a sufficient number of particles for analysis (often >100,000) can take months of manual effort. Current…
In this letter we present the first measurements of an exclusive electron neutrino cross section with the MicroBooNE experiment using data from the Booster Neutrino Beamline at Fermilab. These measurements are made for a selection of…
We present a geometry-aware method for heterogeneous single-particle cryogenic electron microscopy (cryo-EM) reconstruction that predicts atomic backbone conformations. To incorporate protein-structure priors, we represent the backbone as a…
Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…
Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data…