Sentence examples for complex conformation from inspiring English sources

It is conceivable that the 0.78 µM tight interaction between murine NOXO1 and p22phox is strong enough, even in the presence of inhibitory interactions with the C-terminal tail, to support full enzymatic activity, while the significantly weaker human complex (Kd = 17.5 µM) requires a conformational change to adopt a fully active NOXO1-p22phox conformationormation.

For pathogens whose siderophore are not compatible to smuggle drug due to their complex conformation and stiff valence bonds, there is another approach.

There is less unanimity and less certainty in the approaches that have been taken to account for biofilm growth, the complex conformation of the biofilm takes within the porous packing, and the details of the processes by which biofilters become clogged.

Namely, high cluster population hints at the density of states for a given complex conformation.

The results showed an important role of H-bonds in EDOT:SS oligomers complex conformation.

Starting from a given protein-ligand complex conformation, two simulations are run that start from different atomic velocities, typically leading to 4 10 protein-bound simulations per ligand when using a single protein template structure.

The calculations revealed multiple stable, complex conformations and changes in p38α and inhibitor conformations, as well as balance in several energetic terms and configurational entropy loss.

The complex conformations of the new designed inhibitor and two isozymes designate the formation of the hydrogen bond between the newly added group (hydroxypropyl group) and Q64 of hCA VII but N67 of hCA II.

For each ligand, the process includes: (1) ligand preparation, (2) ligand topology creation and structure optimization, (3) identification of representative ligand-protein complex conformations from docking and clustering, (4) MD simulations, and (5) postprocessing and gathering of interaction energies.

Enhanced electron density from amido nitrogen, weakens (even breaking of this bond) the (pyridine -N-Ti bond which pyridine -N-Tire of compyridine -N-Tiions in solution state, and ultimately, this synthesizes polymers of various chain lengths [46].

The representative ligand-protein complex conformations that will be used as starting structures for the MD simulations are obtained through clustering of binding poses obtained during molecular docking: The optimized ligand structure is initially rotated by ± 90 degree in the x, y or z direction [38].