Sentence examples for average structures and from inspiring English sources

The average structure of run 7 yielded the smallest Λ,Λ-B displacements to the other average structures, and is therefore a good representative of all MD runs.

Within a supercell numerous atomic configurations can be compatible with the partial occupancies and mixed compositions of the disordered long-range average structure, and the important question is how to explore them efficiently.

In the light of the average structure and the reflection condition, the superspace Bravais class of the phase with one-dimensional incommensurate structure was determined to be P11R3m in a (3 + 1 -dimensional space.

In this manner, all snapshots making up each FFR model, the average structure and the rigid model of InhA will be all in the same frame of reference.

The C7I G14I G15I base triple is defined by three hydrogen bonds observed simultaneously in the average structure and in 11 of the 20 lowest-energy structures: C7I NH2 to G14I O6, C7I N3 to G14I H1 and G14I 2′–OH to G15I N7.

The rapid rate of conformational changes allows several transitions during the simulation time, so that simulations can be started far from the expected average structure and have the possibility of finding structures consistent with NMR spectra.

For each resulting hit (hit with a cation), a heavy-atom superposition of the nucleotides defining the search pattern was obtained between the PDB coordinates of the hit and the SLVI average structure, and this superposition was used to extract a pairwise heavy-atom rmsd.

The average structures of TS1 and TS2 for bound pKID and TS for apo-PKID are shown in supplementary (Figure S4).

In addition, we discuss the effect of cluster structure and mass distribution on the average structure factor and the apparent fractal dimension measured by static light scattering, in order to assess what structural information can be reliably extracted from such measurements.

The RPF webserver and PSVS software suite were used to verify the quality of the ensemble and average structures (Table 3).

The resulting ensemble and average structures agreed well with the NMR data, where the experimental restraints had low root-mean-square deviations (rmsds) (Table 1).