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Exact(9)
The difference between these poses could be due to entropy considerations or to dehydration of the binding site during the ligand binding, but this does not seem likely considering the conformations of the ligand and the sites.
The authors further suggested using a restraining potential to keep the ligand in the binding site during the simulation process.
The GlcNAc was released transiently and then returned to the binding site during the simulation (Figure 5c d).
In our work, SPDBV is used to position the ligand in the receptor binding site during the step the ligand is prepared for the molecular docking simulation.
A 3D structural model of the dopamine D2 receptor was constructed, with the agonist - R -2-OH-NPA present in the binding site during the modeling procedure.
Thus, there are possibilities that the Cl -binding sites are dependent on PSII preparations or even that Cl -binding itsitesding site during the S-stare cycle.
Similar(51)
Assuming a myosin-V head diffuses along an actin filament when weakly bound, if the myosin-head finds an adjacent actin binding site during this diffusion period, it can release Pi and step forward; if not, it detaches.
They propose that Mg2+ could move between two metal binding sites during the reaction: from precleavage site "B" to product retention site "A" [45].
This is a reasonable result because the purifying selection constrains nucleotide divergence in the rRNAs and the tRNAs due to the secondary structures of these molecules and the specificity of their amino acid binding sites during the translation [ 44].
The illustrations in Figure 3A C show the coordination that sodium acquires at the orthosteric ligand or allosteric sodium binding sites during the δ-OR, μ-OR, and κ-OR simulations.
On the basis of these observations, we present a model of the molecular coevolution of a family of TF proteins and their binding sites during the expansion of bacterial species.
Related(12)
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