Sentence examples for most binding modes from inspiring English sources

Most binding modes are similarly docked at the interface of the two subunits.

Generally, objective functions are calculated and used to analyse possible conformations of ligands, to search for the most stable binding modes of the ligands with the target, and to optimize the geometry of docked ligand-target complexes.

Unexpectedly, when we began looking at the most dissimilar binding modes of DrugBank compounds compared to abacavir's docking pose, we found that the TIF similarity scores were peptide-dependent.

In fact, when NQTrp is involved in hydrogen bonds with the backbone of the Phe20-Glu22 region, the naphthoquinone and the indole ring are able to "clamp" the phenyl ring of either Phe19 or Phe20, as shown in three of the four most frequent binding modes (Figure 7).

Docking, simulations were employed to position the inhibitors into protein active site to find out the most probable binding mode and most reliable conformations.

However, when the user wants to find the most likely binding mode of a molecule of interest, it would of course be sensible to specifically select the most suitable reference complexes for this task.

Docking studies were also employed to determine the most probable binding mode.

Further experiments showed that a 2 1 binding model involving the external binding of TO-CZ to both ends of the G-quadruplex is the most possible binding mode.

We find that the most likely binding mode of the oxime to yeast HSP90 is very similar to the known structure of the radicicol HSP90 complex.

Docking studies were also employed to position the inhibitors into the polo-like kinase active site to determine the most probable binding mode.

The identification of a ligand's most likely binding mode is one of the major tasks of a scoring function [2].