Sentence examples for superposed structures from inspiring English sources

RMSD between the experimental and optimized structures and also between optimized structures using different QM theories are included, where available, along with their superposed structures to estimate the structural change upon optimization.

(F and G) Superposed structures of PrfA in PrfA-DNA complex (cyan) with PrfA (WT) in free state (panel F, magenta) and PrfAG145S in free state (panel G, brown).

SHEBA determines the aligned residue pairs by using a dynamic programming algorithm on two superposed structures.

The same qualitative conclusions can be drawn by comparing the distribution of the superposed structures or the corresponding root mean-square deviations (RMSD, Fig. 3).

Given that a protein may bind more than one copy of a given molecule at different sites, they need to be discriminated by clustering them by their geometric centroids in the superposed structures.

(F ) RMSD superposed structures of the selectivity filter regions (same regions as shown in Figures 6C,D ) of the paddle chimera (pale green) and the toxin-channel complex (green) shown in stick rendition.

This can be done by using an RMSD measure calculated only for the superposed interface structures, while not taking into account the overall structures of the interacting subunits [3], [13], [14], [15].

(C) Backbone atoms (N, Cα and C′) of the 20 superposed NMR structures of PHD1KDM5B (grey) in complex with the H3K4me0 peptide (yellow).

Results files contain the superposed template structures, and the alignment between each subunit file and template file are generated inside the HHpred program.

This was followed by their visualization in superposed high-resolution structures.

Domains in each set were subjected to an all-against-all pairwise structural superposition using the structure comparison program SHEBA, 23 in order to generate a structurally superposed domain pair dataset.