Sentence examples for simulation the structures from inspiring English sources

As a result, during simulation, the structures relaxed in the first few nanoseconds and this resulted in a rise of the RMSD before subsequent stabilization.

Often, to obtain a realistic simulation, the structure of interest must be solvated.

For BEM simulations, the structures under study have been located inside a big cubic box.

In conventional molecular docking simulations, the structures of ligands are treated as flexible, while the structures of proteins are treated as rigid [33, 34].

In the simulations the structures are defined with the dimensions given in Figure 1c, are positioned on a substrate with a constant refractive index of n = 1.5, and for the optical properties of gold we use the data of Johnson and Christy.

On further simulations, the structure of HCP increases gradually.

In the DD simulations, the structure of a spinodally decomposed chromium distribution is approximated using a cosine function.

Here, we analyze by means of molecular dynamics simulations the structure of the p7 monomer as a function of its sequence, initial conformation and environment.

For most normal mode-like calculations and simulations, the structure provided has to be properly energy-minimized.

For the MD simulation, the representative structures of each complex under dynamic conditions were identified by the cluster analysis with a RMSD cutoff of 0.105 nm.

Then we run multiple high-temperature unfolding simulations, clustering the structures visited and analyzing the network of transitions between clusters.