Sentence examples for both binding modes of from inspiring English sources
We hypothesised that rigid docking may preclude the optimal orientation of protein side chains in the ATP binding site and applied a docking protocol incorporating side chain flexibility to both binding modes of CHK2 exemplified by protein structures 2W0J and 2CN5.
Coarse grained molecular dynamics has also predicted dual modes of interaction between Coh and Doc (Hall and Sansom, 2009), but direct experimental evidence of both binding modes for wild-type Doc has remained elusive.
These groups make stacking and hydrophobic interactions with the side chains of the conserved Tyr and Pro loop residues in both binding modes: Tyr 276 and Pro 278 of Mos1 and Tyr 212 and Pro 214 of PFV integrase.
The most similar member of the larger superfamily is UDP-galactose 4-epimerase [14] (PDB entry 1KVQ), which provided a template for the binding modes of both the nicotinamide cofactor and substrate in the earlier structural analyses of the apo-forms of IFR, PCBER and PLR [6], [7].
Moreover, we applied structure-based 3D docking and molecular dynamics simulations to predict and analyze the binding modes of our experimental hits (including both agonists and antagonists).
Our results revealed significantly different binding modes of these two inhibitors although both established extensive interaction networks with CCR5.
The results also show that the binding modes of representative phthalides are reversible and competitive at both MAO isoforms.
Figure 7: Close-up views of binding modes of human AChE with four curcuminoids.
We investigated the binding modes of several known agonists of a representative chicken bitter taste receptor, ggTas2r1.
Zhao, B. et al. Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 CYP158A11) compared to CYP158A2.
