Sentence examples for binding orientation of both from inspiring English sources
The method allowed for selecting the correct binding orientation of both ligands from four different orientations gained by rotation of the ligands in the binding pocket.
Given the uncertain proton configuration and the flexibility of both ligand and protein, we did not anticipate finding the exact binding orientation of 4-MDDT in the active site but anticipated some insights into ligand specificity.
This change may result from the different binding orientation of the acceptor caused by substitutions in the acceptor-binding site.
X-ray of the ethylene linked compound 61 confirmed the predicted binding orientation of the scaffold in the p38 enzyme.
FlexX was used to find out the binding orientation of this new class of 1,3-diaryl isoindoles in the active site of COX-2.
Moreover, 3D pictures of inhibitor protein complex provided precious data regarding the binding orientation of each antagonist into the active site of this protein.
In addition, molecular docking studies revealed the plausible binding orientation of these inhibitors towards TP, which was in accordance with the experimental results.
We established a method to determine the binding orientation of lysozyme for different materials under various experimental conditions enabling us to observe changes in the mode of adsorption.
Moreover, molecular modeling simulations were also performed to predict preferential binding orientation of CENUs with tRNA that corroborates well with spectral outcomes.
First, we investigated the binding orientation of porphyrin hybrids into DNA topoisomerase IIβ employing AutoDock 4.2 and then performed 20-ns molecular dynamics simulations to see the dynamic stability of each porphyrin-Topo IIβ complex using Amber 14.
Additionally, a comparative AutoDock study into Cox 1 and Cox2 has been done involving both of rigid and flexible docking for potential selectivity of our compounds within different Cox enzymes and to find out the binding orientation of these novel esters into their binding site.
