Sentence examples for binding orientations of the from inspiring English sources
Steric clashes, loss of electrostatic stabilization between an active-site arginine (Arg305) and the phosphonate analog, and a 180° flip of the hexose moiety account for the differences in the binding orientations of the isosteric phosphonate analog and the physiological substrate.
Next, to identify the most consistently predicted binding orientations of the compounds, RMSD was calculated between the docking poses generated by the Glide SP and eHiTS protocols.
The coupling effect of protein dynamics and ligand dynamics is consistent with recent crystallography and NMR studies, which indicate that different protein conformations prefer distinct binding orientations of the ligand.
Among the predicted binding poses, two distinct binding orientations of the steroid ring were observed: The positioning of 2 was similar to the experimentally determined binding mode of MFA-1 in 3bej.
Further, the effect of an ortho-oxygenated N-benzyl appeared not to be significant for affinity in the tryptamine series, suggesting perhaps different binding orientations of the N-benzyltryptamines versus the N-benzylphenethylamines within the receptor.
This change may result from the different binding orientation of the acceptor caused by substitutions in the acceptor-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.
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.
