Related papers: Proton Dynamics in Protein Mass Spectrometry
A stochastic model for the dynamics of enzymatic catalysis in explicit, effective solvents under physiological conditions is presented. Analytically-computed first passage time densities of a diffusing particle in a spherical shell with…
Understanding the relationship between protein sequence, function, and stability is a fundamental problem in biology. While high-throughput methods have produced large numbers of sequence-function pairs, functional assays do not distinguish…
Production and in-medium modification of hidden strange $\phi$ mesons are studied in proton-nucleus reactions - p+C, p+Cu and p+Pb - at 12 GeV/c, partially measured by the KEK E325 collaboration via the dilepton decay mode. This work is…
We study the variation of the shape of the proton intensity-time profiles in simulated gradual Solar Energetic Particle (SEP) events with the relative observer's position in space with respect to the main direction of propagation of an…
Native extracellular matrices (ECMs), such as those of the human brain and other neural tissues, exhibit networks of molecular interactions between specific matrix proteins and other tissue components. Guided by these naturally…
Molecular dynamics using atomistic modeling is frequently used to unravel the mechanisms of macroion release from electrosprayed droplets. However, atomistic modeling is currently feasible for only the smallest window of droplet sizes…
We demonstrate the applicability of studying the proton dynamics in proton-conducting perovskites using neutron spin-echo spectroscopy, a powerful method hitherto neglected for studies of the proton dynamics in ceramic proton conductors. By…
Recently, a new class of carbon allotrope called protomene was proposed. This new structure is composed of sp2 and sp3 carbon-bonds. Topologically, protomene can be considered as an sp3 carbon structure (~80% of this bond type) doped by sp2…
The subject of this report is the dynamics of elastic system in conjunction with hydrogen bonds of the DNA. We draw attention to the draw-back of the familiar rod model of the DNA, and make a case of constructing models that could…
The infrared spectroscopy and proton transfer dynamics together with the associated tunneling splittings for H/D-transfer in oxalate are investigated using a machine learning-based potential energy surface (PES) of CCSD(T) quality,…
The mechanical model based on beads and springs, which we recently proposed to study non-specific DNA-protein interactions [J. Chem. Phys. 130, 015103 (2009)], was improved by describing proteins as sets of interconnected beads instead of…
Presently available high-energy proton beams in circular accelerators carry enough momentum to accelerate high-intensity electron and positron beams to the TeV energy scale over several hundred meters of the plasma with a density of about…
The reaction pp -> pp eta was measured at excess energies of 15 and 41 MeV at an external target of the Juelich Cooler Synchrotron COSY with the Time of Flight Spectrometer. About 25000 events were measured for the excess energy of 15 MeV…
We study the dynamics of MEMS microbeams undergoing electrostatic pull-in. At DC voltages close to the pull-in voltage, experiments and numerical simulations have reported `bottleneck' behaviour in which the transient dynamics slow down…
The metallic regime of the hydrogen plasma is studied by ab initio Molecular Dynamics simulations, for classical protons and fully degenerate electrons, in the strong coupling regime of the protons. The breakdown of linear screening…
Systematic first-principles molecular dynamics (MD) simulations with long simulation times (7-13 ps) for phase IV of solid hydrogen using different supercell sizes of 96, 288, 576, and 768 atoms established that the diffusive proton motions…
Mixed ionic-electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and stability of transport channels in our recently developed MIEC…
Forming macroscopic solid bodies in circumstellar discs requires local dust concentration levels significantly higher than the mean. Interactions of the dust particles with the gas must serve to augment local particle densities, and…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
The effect of interactions on dynamics of coupled motor proteins is investigated theoretically. A simple stochastic discrete model, that allows to calculate explicitly the dynamic properties of the system, is developed. It is shown that…