Sentence examples for structural deviations from inspiring English sources

Analysis of the atom-positional root-mean-square deviations of all atoms (RMSD) showed no constant increase of the structural deviations from the reference structure in any of the systems.

The root-mean-square deviation (RMSD) is another important parameter for assessing structural deviations from a given reference structure, in this case the initial homology model (Fig. 4).

We then computed the comparative analysis of structural deviations in native and mutant structure.

When poses within the top-5 PPCheck ranks are considered, 26 out of 30 complexes could be identified, but with increasing structural deviations from the native crystal structure.

The greatest structural deviations of MccB from previously solved structures occur near residues 33 46 and 452 477.

Comparative analysis of structural deviations in WT and mutated (T854A) structures of EGFR were carried out using Gromacs utility tools such as g_rmsf, g_rms, g_gyrate, g_sas etc.

They discerned regions within the simulated monomeric structure which showed large structural deviation with respect to the structure of the domain in the dimeric conformation.

Superimposed proteins from PALI database have regions of correspondence that exhibit high structural deviation, namely "Structurally Variable Regions" (SVRs).

In contrast, when the large aromatic Trp184 was replaced by the small Ala in the helix 2 region, the dimeric structure experienced a relatively large structural deviation with a continuous increase in rmsd of 7.3 Å.

Given that in these simulations the protein did not undergo a major structural deviation from the reported crystal structure (rmsd of ≤2.5 Å), the observed spontaneous Na+ release suggests that the crystal structure of vSGLT is in a Na+-releasing state.

As revealed by RMSF-analysis, the structural deviation of the EF loop conformation of stem 5) from its reference structure may be more pronounced than it is the case for stem- 5).