Sentence examples for most representative conformer from inspiring English sources

The most representative conformer was recovered with clustering from 30 to 35 ns, minimized, and the MD simulation repeated.

The seventh member of the NMR-derived ensemble of VSTx1 structures was used because it was annotated as being the most representative conformer in the ensemble (4).

From these components, the most representative conformers were chosen from the eigenvector tables.

Each line and color represents each representative conformer ensembles.

It is without question his most representative.

representative conformer k-means.

Each conformer in the dataset is overlaid to each representative conformer and the overlay information is retained, if the similarity with a representative conformer is of sufficient magnitude.

The correlation between the mean squared distances of the representative conformer and the whole conformers, shown in the seventh column.

The distributions of the conformers, the relations between the representative conformer ensembles and the whole conformers were analyzed to understand the characteristic of the algorithms.

The centroid of each cluster was selected as the representative conformer of that cluster to construct a smaller conformer model with 500 conformers or less.

MSt (the mean of the squared distance of total conformers) indicates how the conformers in an entry were dispersed and MSb does that for the representative conformer ensembles.