相关论文: Intrinsic Mean Square Displacements in Proteins

A Suydam-unstable circular cylinder of plasma with periodic boundary conditions in the axial direction is studied within the approximation of linearized ideal magnetohydrodynamics (MHD). The normal mode equations are completely separable,…

The relationship for Pulsed-Field-Gradient NMR between the amplitude $I(t)$ of the spin echo and the molecular displacement ${\bf X}(t)$ is examined. $I(t)$ of a single species in a simple solution is determined by the mean-square…

By using the heat kernel parameter expansion with respect to the frozen SDEs, the intrinsic derivative is estimated for the law of Mckean-Vlasov SDEs with respect to the initial distribution. As an application, the total variation distance…

We study the learning dynamics of a multi-pass, mini-batch Stochastic Gradient Descent (SGD) procedure for empirical risk minimization in high-dimensional multi-index models with isotropic random data. In an asymptotic regime where the…

In this paper we discuss recent applications of the Smoothed Particle Hydrodynamics (SPH) method to the simulation of supersonic turbulence in the interstellar medium, as well as giving an update on recent algorithmic developments in…

Recent studies attracted the attention on the inherent structure landscape (ISL) approach as a reduced description of proteins allowing to map their full thermodynamic properties. However, the analysis has been so far limited to a single…

Using a combination of dielectric spectroscopy and solid-state deuteron NMR, the hydration water dynamics of connective tissue proteins is studied at sub-ambient temperatures. In this range, the water dynamics follows an Arrhenius law. A…

De novo prediction of protein folding is an open scientific challenge. Many folding models and force fields have been developed, yet all face difficulties converging to native conformations. Hydrophobicity scales (HSs) play a crucial role…

We consider a classic two-state switching diffusion model from a single-particle tracking perspective. The mean and the variance of the time-averaged mean square displacement (TAMSD) are computed exactly. When the measurement time (i.e.,…

We use dynamic nuclear polarization (DNP) enhanced nuclear magnetic resonance (NMR) at liquid helium temperatures to directly detect hydrogen attached to the surface of silicon microparticles. The proton NMR spectrum from a dry sample of…

Laminar natural convection from two horizontally aligned isothermal cylinders in unconfined Power-law fluids has been investigated numerically. The effect of horizontal spacing (0<=(S/D)<=10) on both momentum and heat transfer…

MHD waves permeate the solar atmosphere and constitute potential coronal heating agents. Yet, the waves detected so far may be but a small subset of the true existing wave power. Detection is limited by instrumental constraints, but also by…

We present a novel method of magnetohydrodynamics (MHD) within the smoothed particle hydrodynamics scheme using the Geometric Density average force expression (GDSPH). GDSPH has recently been shown to reduce the leading order errors and…

Finding meaningful distances between high-dimensional data samples is an important scientific task. To this end, we propose a new tree-Wasserstein distance (TWD) for high-dimensional data with two key aspects. First, our TWD is specifically…

A Langevin process diffusing in a periodic potential landscape has a time dependent diffusion constant which means that its average mean squared displacement (MSD) only becomes linear at late times. The long time, or effective diffusion…

The mean square displacement and instantaneous diffusion coefficient for different configurations of charged particles in stochastic motion are calculated by numerically solving the associated equations of motion. The method is suitable for…

We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated…

In this Letter, four-point magnetotransport of high mobility InGaAs/InP heterointerfaces is measured from 1.6 K to 300 K and from 0 to 15 T, and an analysis is shown whereby the mobility and density of the two-dimensional (2D) accumulation…

We derive two new forms of the K\'arm\'an-Howarth-Monin equation for decaying compressible Hall magnetohydrodynamic (MHD) turbulence. We test them on results of a weakly-compressible, two-dimensional, moderate-Reynolds-number Hall MHD…

Tracking of particles, be it a passive tracer or an actively moving bacterium in the growing bacterial colony, is a powerful technique to probe the physical properties of the environment of the particles. One of the most common measures of…