Sentence examples for molecular dynamic simulation from inspiring English sources

The molecular dynamic simulation was carried out by GROMACS 4.5.5 package [ 59] to simulate the dynamic structure of BACE1 with docked compounds.

One is an MPI-based molecular dynamic simulation (MDS) code, the other is a finite element-based computational fluid dynamics (CFD) code for simulating incompressible Navier Stokes flows.

C The RMSDs of the molecular dynamic simulation systems.

PDB membranes can be exported to Gromacs [3], a molecular dynamic simulation (MD) program.

Molecular dynamic simulation can be employed to better understand the PDMS filling mechanism.  .

Figure 3 Molecular Dynamic simulation results of the separation of NELO GaN nanostructures from GaN template near the SiO2 mask.

To overcome these limitations, we propose to obtain the force between fluid components and the rock through molecular dynamic simulation.

Nonlocal longitudinal frequencies are validated with existing molecular dynamic simulation result.

Molecular dynamic simulation indicated obvious stress concentrations on the wrinkle throughout entire graphene platelet areas.

In order to describe the experimental results, molecular dynamic simulation (MDS) was performed.

Molecular dynamic simulation demonstrates a spontaneous wrapping of polynucleotides around the nanotube.