Sentence examples for using the molecular dynamics from inspiring English sources

Numerical simulation is conducted using the molecular dynamics (MD) method.

This review focuses mainly on computational studies of HS conducted using the molecular dynamics method.

Simulations are being performed using the molecular dynamics software suite GROMACS.

In this paper, the mechanism of NiIM is studied using the molecular dynamics.

In this study, we tackle this challenge by investigating nano-indentation processes submerged in water using the molecular dynamics (MD) simulation approach.

As an improvement, we propose to simulate the force between the fluid component and rock for different fluid density using the molecular dynamics (MD) method.

The HMC uses the molecular dynamics (MD) steps as the global Monte Carlo (MC) moves to reach areas of high probability where the gradient of the log-density of the Posterior acts as a guide during the search process.

This method uses the molecular dynamics method of a generalized force model as a generation scheme to produce a microstructure with a pattern combining a variable aspect ratio and a variable microstructure orientation.

To better understand the molecular architecture and biological function of the APW peptide, we used the molecular dynamics stimulation to initially characterize and predict its structure.

The CHARMM parameters [52] were used for all calculation carried out within the QUANTA program while the CHARMM22 [53] and CHARMM27 parameters [54] were used for the molecular dynamics simulations.

Gromacs 4.5.5 [ 34] is a program used to perform the molecular dynamics (MD) simulation using classical molecular dynamics theory.