Sentence examples for most populated cluster from inspiring English sources

An all-heavy-atom RMSD threshold was chosen to give 1/6 of the clustered models in the most populated cluster, as in prior work (Das et al., 2008).

Considering the most populated cluster (and not the lowest energy) as a first rank result, 30 of the 53 dockings were able to successfully predict the experimentally observed binding mode.

In all cases, where the most populated cluster's frequency was above 50 out of 100 runs, the result was accurate (with an RMSD below 2.0 Å as compared to the X-ray structure).

For this purpose, we performed a clustering analysis on each of the MD trajectories to identify the most populated cluster from which a representative structure could be derived to compare with the starting structure.

Receptors were chosen so that each of the four main phylogenetic groups of GPCR family A were represented in our target dataset (including the most populated cluster within each group) [34].

To determine popular conformations of the oxime-pyridinium ring, all 400 conformers from the most populated cluster (Cluster 1) of the second-round cluster analysis were subjected to a third-round cluster analysis using the averagelinkage algorithm (epsilon = 1.0 Å and RMS on all atoms of HI-6).

The most populated clusters, accounting for 31, 65, and 26% of the overall population, had the first occurrence at 41, 11, and 39 ns, and no new clusters with a population ≥5% appeared after 46, 11, and 51 ns for NtrC, CheY, and FixJ, respectively.

Considering the most populated clusters (and not the lowest energy), 42 first rank and 9 second rank results were observed.

Of the three most populated clusters (Figure 4), the AHP conformations in Clusters 1 and 3 are similar, and the one in Cluster 2 is unique.

The representative conformations of F4HBoNTAe and F3ABoNTAe from their most populated clusters overlay reasonably well (see Figure 3) and are considered as plausible complex structures in water.

As expected from PCA, the two most populated clusters were number 4 and 8, composed by genes modulated positively and negatively from TP B to TP C, respectively.