Sentence examples for molecular dynamics at from inspiring English sources

The thermal stability of barnase has been studied using constant pressure and temperature (CPT) molecular dynamics at different temperatures.

Today, we have sophisticated experimental techniques (e.g. digital image correlation, electron microscopy) as well as atomistic simulation tools (e.g. molecular dynamics) at our disposal to finally revisit the century old fatigue problem in the light of physical phenomena therein.

In contrast to previous calculations in materials with simple crystal structures, such as face-centered cubic metals, it was necessary to use molecular dynamics at elevated temperature to obtain any dislocation mobility.

Their chains are simulated by molecular dynamics, at two coil densities: the unperturbed random coil state (attained by use of a cut-off for the non-bonded interactions), and a more dense, collapsed coil state (with no cut-off).

Recent advances in atomic resolution microscopy make possible to modify the structure at the surface of materials on the atomic scale, to study the local atomic and electronic properties as well as the atomic and molecular dynamics at material surfaces, and to analyze the chemical element of site and layer specific atoms.

NMR relaxation measurements provide data about protein molecular dynamics at the atomic level and are sensitive to changes induced by self-association.

First principles calculations based on density functional theory yield an elastic modulus of 400 ± 5 GPa at 0 K, 10% larger than predicted by molecular dynamics simulations at low temperatures.

The dependence of the solution structure of neamine on pH was determined by NMR and AMBER molecular dynamics methods at pD 3.3, pD 6.5, and pD 7.4 in D2O at 25 °C.

We also did molecular dynamics simulation[22] at room temperature to check the stability of such HOMF.

We review here recent molecular dynamics studies at multiple resolutions highlighting the main features of cholesterol-GPCR interaction.

This study performs molecular statics and molecular dynamics simulations at elevated temperature to investigate the discrepancies in annihilation distance.