Sentence examples for most representative conformations from inspiring English sources

Here clustering of different conformations of the same molecular structure is performed to reduce the number of conformations to be subjected to further analysis (e.g. docking simulations), or to choose the most representative conformations among many [ 2].

The first two most representative clustered conformations are relative to the native cis Pro 32 conformation and non-native trans Pro 32 conformation, thus allowing selection of most representative conformations at the selected region.

As a consequence, clustering of different conformations of the same molecular structure is a frequently performed task which allows on the one hand to reduce the number of conformations to be subjected to further analysis, and on the other hand to choose the most representative conformations among many [ 2].

In our data set, the two diagonal swing conformations, which are typically observed in the trot gait, are the most representative configuration, present in more than 50%% of the frames (Fig.  4e).

Most methods exploit a limited number of representative conformations, called rotamers, at each residue position and use efficient search algorithms to find a low-energy rotamer combination for the whole protein.

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.

Out of many conformations calculated (figure  S1), we show one most representative for each complex, obtained by quantum chemistry calculations (Fig.  4).

It is without question his most representative.

Among the most representative innovations in this regard are Learning Management Systems.

Fig. 7 Most representative XRF spectra.

Phellodendron bark is the most representative basic dye among the natural plant dye, madder is the most representative mordant dye, and indigo is the most representative vat dye.