Sentence examples for by the docking analysis from inspiring English sources

For negative controls, we used residues within PXR's ligand-binding pocket predicted by the docking analysis not to interact with BPA: Cys284, Met323, and Leu411.

We therefore checked whether the interaction of NGF mimetics with TrkA involves the amino-acid residues predicted by the docking analysis reported above.

In addition, it is noteworthy that MT2 most probably interacts with a TrkA monomer, rather than a dimer of the receptor, as indicated by the docking analysis.

Guided by the results from the docking analysis, we mutated the key amino acids predicted as responsible for BPA's agonistic activity: Ser247, Phe288, Trp299, Tyr306, and Leu308.

The re-docking of compound 4, suggested that the docking protocol is suitable for the docking analysis of comp.

In the docking analysis the rivaroxaban was docked with BSA to establish the favored binding site and the binding mode.

Andrea Coletta carried out all of the docking analysis.

The docking analysis was based on -PLP1, −PLP2, −PMF, and Dock Scores to select the docking poses of TCM compounds from database screening.

The topological interaction between LOC_Os04g09604 enzyme and its substrate was specially analyzed by homology modeling programs, which was well confirmed by the molecular docking analysis.

Inhibition of these enzymes was further supported by the molecular docking analysis.

In support of this, haem associates with the center pore site of BtAAC1, as shown by by in silico docking analysis (Fig. 2).