Sentence examples for binding mode is predicted from inspiring English sources

In second stage, protein-DNA binding mode is predicted by using the prediction results of the previous stage.

The possible HSA paeoniflorin binding mode was predicted by molecular docking software AutoDock.

We present examples of in silico discoveries of tyrosine kinase inhibitors and bromodomain antagonists whose binding mode was predicted by automated docking and further corroborated by MD simulations with final validation by X-ray crystallography.

For all short-listed core fragments, more than one binding mode was predicted for the kinases in the docking panel.

A similar "folded-over" binding mode was predicted for Raltegravir docked in the HIV-1 integrase active site in the absence of viral DNA, using computational methods.

Orientation in two binding modes is predicted, consistent with the two products observed (PBAld and PBA).

Preliminary SARs was established for XZH-5 and its derivatives; and the binding modes were predicted by molecular docking.

However, their binding mode is entirely different.

The predicted binding mode was confirmed by X-ray crystallography.

A water molecule, observed in many HsGSK3β structures, was kept for the binding mode generation and is predicted to mediate a hydrogen bond between the inhibitor carbonyl lone pair and the backbone amide NH group of Asp171.

The structure revealed that the binding mode was indeed inverted with respect to the geometry of all previously reported indirubin-kinase complexes and consistent with the predicted binding mode II.