Sentence examples for analysis of the docking from inspiring English sources

Analysis of the docking results showed Paclitaxel > Docetaxel > Gemcitabine > Carboplatin > Cisplatin as the order of binding affinities, with Paclitaxel having the best docking score.

Analysis of the docking simulations indicated that the E41A/G and T57A mutations led to a significant decrease in binding energy scores due to rearrangements of the hydrogen-bond network that reverberated throughout the binding cavity.

Analysis of the docking results revealed that all three compounds bind at the same receptor site on the surface of IL-2 protein.

Analysis of the docking results showed that the synthesized compound 3 fit well within the active site of histone acetyltransferase enzyme (Fig. 12a).

Detailed analysis of the docking poses within the site M revealed two main clusters nearly equal in size designated as M1 and M2.

The analysis of the docking was performed with AutoDockTools, and PyMOL software [ 39].

Analysis of the resulting docking clusters provided two main docking solutions.

In the analysis of docking, the docking site and the ligand dock to the protein are correct based on the important amino acid interactions.

In the present study, 39 bisaryl-1,4-dien-3-one compounds with 5-carbon connection chains were designed and synthesized as MD2 inhibitors based on the analysis of the molecular docking of xanthohumol to MD2.

Analysis of the molecule docked over the binary complex, together with its chemical properties, suggests that the religation enhancement is due to the presence on the compound of two oxygen atoms that act as hydrogen acceptors.

The application of these methods to the targeted MD simulations of Pgp presented here resulted in the identification of 26 nonredundant transitional structures that have allowed the analysis of ligand docking over the entire dynamic transition from the fully opened inward to fully opened outward states.