Related papers: Intrinsic Mean Square Displacements in Proteins
Combining elastic incoherent neutron scattering experiments at different resolutions with molecular dynamics simulations, we report the observation of a protein-like dynamical transition in linear chains of Poly(N-isopropylacrylamide). We…
Thermal motion in complex fluids is a complicated stochastic process but ubiquitously exhibits initial ballistic, intermediate sub-diffusive, and long-time non-Gaussian diffusive motion, unless interrupted. Despite its relevance to numerous…
The hydrogen-bond (H-bond) network of high-pressure water is investigated by neural-network-based molecular dynamics (MD) simulations with the first-principles accuracy. The static structure factors (SSFs) of water at three densities, i.e.,…
Heterogeneous diffusion with spatially changing diffusion coefficient arises in many experimental systems like protein dynamics in the cell cytoplasm, mobility of cajal bodies and confined hard-sphere fluids. Here, we showcase a simple…
Recently we have shown experimental evidence for a fragile-to-strong dynamic crossover (FSC) phenomenon in hydration water around a globular protein (lysozyme) at ambient pressure. In this letter we show that when applying pressure to the…
The mean squared displacement (MSD) of particles or probes is commonly estimated from microscopy videos using particle tracking approaches, which rely on tuning parameters manually, and are often unstable over the entire lag time range,…
The study of protein functions attributed to the conformation and fluctuation that are ruled by both the amino acid sequence and thermodynamics, requires thermodynamic quantities given by calorimetry using thermometric techniques. The…
Multiple speckle diffusing wave spectroscopy (MSDWS) can be applied to measure spatially heterogeneous mechanical behavior in soft solids, with high sensitivity to deformation and both spatial and temporal resolution. In this paper, we…
We explore the strengths and limitations of using a standard Michelson interferometer to sample line-of-sight-averaged temperature in water via two experimental setups: slow-varying temperature in static fluid and fast temperature…
The temperature dependence of the nuclear free induction decay in the presence of a magnetic-field gradient was found to exhibit motional narrowing in gases upon heating, a behavior that is opposite to that observed in liquids. This has led…
L\'evy walks represent a class of stochastic models (space-time coupled continuous time random walks) with applications ranging from the laser cooling to the description of animal motion. The initial model was intended for the description…
We study a lattice gas of persistent walkers, in which each site is occupied by at most one particle and the direction each particle attempts to move to depends on its last step. We analyse the mean squared displacement (MSD) of the…
Inelastic neutron scattering (INS) spectra of hydrogen in face-centered cubic palladium have been calculated considering nuclear quantum effects (NQE) at finite temperatures. The calculations were performed using semiclassical Brownian…
In situ thermal transport measurement of flowing fluid could be useful for the characterization and diagnosis of practical thermal systems such as fluid heat exchangers and thermal energy storage systems. Despite abundant reports on the…
The Debye-Waller factor and the mean-squared displacement from lattice sites for solid 3He and 4He were calculated with Path Integral Monte Carlo at temperatures between 5 K and 35 K, and densities between 38 nm^(-3) and 67 nm^(-3). It was…
I consider the nonaxisymmetric linear theory of a rotating, isothermal magnetohydrodynamic (MHD) shear flow. The analysis is performed in the shearing box, a local model of a thin disk, using a decomposition in terms of shearing waves,…
The mean square displacement per collision of a molecule immersed in a gas at equilibrium is given by its mean square displacement between two consecutive collisions (mean square free path) corrected by a prefactor in the form of a series.…
We perform atomistic computer simulations to study the mechanism of homogeneous dislocation nucleation in two dimensional (2D) hexagonal crystalline films during indentation with a circular nanoindenter. The nucleation process is governed…
We perform Discrete Element Method (DEM) simulations of granular particles (polystyrene spheres) vibrated inside a cubic container. The study investigates the evolution of the packing fraction with and without rotational friction at…
A selection of five proteinogenic amino acids, namely glycine, isoleucine, phenylalanine, tyrosine and tryptophan were studied in the mid-infrared and in the far-infrared with the purpose to facilitate the search and identification of these…