Sentence examples for binding modes predicted by from inspiring English sources

The binding modes predicted by GOLD were in good agreement with their UNITY-generated conformations.

The binding modes predicted by GOLD for compounds 1 a, 1 b, and 1 c are in good agreement with their UNITY-generated conformations.

Together, these observations support the plausibility of a binding mode predicted by the computational docking exercise.

The experimentally determined COX-2 inhibitory activity was found moderately correlating with binding modes predicted for compounds by Glide XP dock scoring function.

Such binding mode predicts repression of mftR and mftP gene expression in the absence of ligand.

Second, this binding mode predicts that 3 would be reduced to the R product, consistent with behavior observed experimentally.

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

Experimentation with real bikes has so far confirmed the weave mode predicted by the eigenvalues.

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.