Sentence examples for binding orientation of this from inspiring English sources

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.

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.

In addition, molecular docking studies revealed the plausible binding orientation of these inhibitors towards TP, which was in accordance with the experimental results.

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.

Clearly, molecular dynamic simulations are needed to further investigate the preferred binding orientation of the hydroxyl group of abacavir.

The conformation of the linker region between the N- and C-terminal lobes appears to have an impact on the binding orientation of the adenine or isoquinoline ring.

The binding orientation of the active monomer may in turn determine the direction of the octamer movement (as discussed below).

With the exception of 2´PCB 3 sulfate, the sulfate moiety facilitated hydrogen bonding interactions with Lys15 residues, thereby dictating the binding orientation of the PCB sulfate.

These data demonstrate that the molecular mechanism explaining the difference in TCR-binding affinity and thermodynamics was not due to a large difference in binding orientation of the MEL5 TCR and warranted a more detailed investigation of the binding interface.

Supplementary Figure S1 shows the substrate-binding surface of the EphB4 kinase domain and the approximate binding orientation of the optimized Eph kinase synthetic peptide substrate EPHOPT, as defined by Davis et al. [ 38].