Sentence examples for docking mode from inspiring English sources

As AutoDock reports the best docking solution for each GA run and also performs a cluster analysis in which the total number of clusters and the rank of each docking mode (cluster rank) is reported, in 7 out of 10 docked conformations obtained by the clustering analysis at 2.0 Å, the carbonyl group of the lactone ring is found closest to the hydroxyl group of Thr1.

Flexible docking mode was selected.

As recommended in the manual, we used Glide with the standard precision (SP) docking mode.

The final 56 hit compounds were carefully selected considering predicted docking mode in crystal structures.

MD results indicate that the preferable docking mode is more stable.

We conducted the standard precision docking mode (SP) and also considered Epik state penalties for metal-containing binding sites.

The large differences in linker lengths suggest different docking modes.

The present study provides a deeper perspective to understand the characteristics and docking modes of SE and CYP51 inhibitors.

Both the standard precision (SP) [4] and the extra precision (XP) [39] docking modes were used with the Glidescore and E-model scoring functions [4].

The crystal structures of four of these compounds bound to this site are presented, and reasonable modelled docking modes are suggested for the 5 other scaffolds.

The SAR of a tetrahydrobenzothiophene (THBT) series did not agree with either of two proposed docking modes in the 4B binding site.