Sentence examples for used as docking from inspiring English sources

When the native conformer was used as docking input, the fraction of entries that have correctly predicted poses (RMSD ≤ 2 Å to the native binding pose) at the top-1 position was nearly doubled using MC optimization compared to pharmacophore matching only (Figure 6A).

Homology modeling has been used to generate structural models of proteins, which can still be used as docking targets [65] [67].

We could not say which structure is better, the apo structure or holo structure, when Sievgene was used as docking software.

Wharf-like structures found at many port cities indicate that they might have been used as docks.

The quality of the build materials used as well as the docks sheer size are considered a strong illustration of the great prosperity that the Port of Liverpool afforded the city at the time and the building's style is described as cyclopean classicism.

Therefore, we performed MD simulations for an Elk-1 ETS monomer, to generate an ensemble of monomeric ETS conformations to use as docking targets.

Rigid receptor was used as a docking approach.

However, the lack of statistical enrichment does not exclude the possibility of the Dd motif being used as a docking site as well.

The AutoDock program [33] is used as the docking tool to quantify the binding affinity between the dipeptides and the selected protein surface.

A 6 Å of an expanded search grid, a maximum of 20 conformations per fragment, and a maximum of 100 rotatable bonds per molecule were used as general docking parameters.

Accelrys Discovery Studio 2.5 (DS 2.5) was used as a docking platform for the molecular simulations.