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Several amino acid residues have been proposed to interact with OT and OT-GKR in the OTR model where the red bars represent docking with OT-GKR, and the black bars indicate docking with OT molecule (Fig. 2D).
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The following two systems were constructed and simulated: substrateSBS·GSK-3β(p)·ATP and inhibitorSBS·GSK-3β(p)·ATP (subscript "SBS" indicates docking at the SBS).
RMSD value is an indication of how significant the computer-derived docking is, and smaller values indicate better docking.
These results indicate that docking by Autodock program in our study is reliable and accurate enough for further analyses.
Altogether, these data may indicate that docking failed for HSP90.
Plus symbols on the same row indicate where docking simulations support the possibility for this combination of adaptors to simultaneously bind to phosphorylated tyrosine residues on the same EGFR tail.
✗ indicates unsuccessful docking of GTP or GTP docking in an orientation deemed unsuitable for catalysis.
The docked conformation of PC190723 was compared with the X-ray crystallographically determined structure, and the root-mean-square deviation (rmsd) between docked PC190723 and crystallized PC190723 was estimated to be 0.951 Å, indicating appropriate docking.
It indicates that docking pose of tryptophan has a rapidly variation under dynamic condition.
Direct binding of FPP to PPARγ was also indicated by docking simulation studies.
✓ indicates successful docking of GTP and in an orientation deemed suitable for catalysis.
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CEO of Professional Science Editing for Scientists @ prosciediting.com