Sentence examples for average structure from from inspiring English sources

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.

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 resulting structures for the first isoform are well defined (root-mean-square deviation from the average structure for backbone atoms of 0.47 A) and adopt a right-handed spiral conformation, similar to that observed for heat stable enterotoxin.

The second isoform is less well defined (root-mean-square deviation from the average structure for backbone atoms of 1.07 A) but clearly adopts a very different fold consisting of a left-hand spiral.

In order to compare the protein structures from the four different systems, their representative structures were selected from each simulation and those are the most closed conformation to the average structure for the last 2 ns snapshots.

Root mean square fluctuation (RMSF) values were calculated relative to the average structure obtained from the 300 K simulation.