Sentence examples for average structures from from inspiring English sources

Average structures from the equilibrated trajectories were extracted and subsequently served for further docking experiments.

Average structures from second half of the simulations were further used for the docking study.

To gain insight into the effects of the V74G mutation and the residues with which it interacts, we examined the average structures from the MD simulations of each mutant in the residues proximal to Val74.

The average structure from MD simulation of each compound was used to determine the binding energy.

To probe this alternative model, we examined the average structure from MD simulations of the V40G/S42G mutant.

The FSCs between the average structure from one single tomogram with the structures obtained from every other individual tomogram should therefore all intersect at the first zero of the single tomogram.

The average structure from the final round of simulated annealing calculations was neutralized with the addition of 24 sodium ions and placed in a truncated octahedral TIP3P water box with periodic boundaries at a distance of 8 Å from the solute.

The CTF parameters for each tomogram were estimated by calculating averaged structures from all individual tomograms, measuring all the pairwise FSCs between these averages, and observing frequencies of positive and negative correlation.

That this trend was evident looking at the low energy and time averaged structures from the MD as well as the representative cluster structures strongly suggests that this represents a real difference between GRY53/7HC croconate and GRY53/7HC-glucuronate.

The per-residue decompositions of rms values for both systems are shown in Figure 9 with a superposition of two average structures extracted from MD simulations.

Average structures derived from Bragg diffraction data are an invaluable tool for structure characterization on the long length scale, but frequently important structural characteristics such as short-range order or cooperative displacements can be missed entirely.