Sentence examples for binding modes of both from inspiring English sources

Molecular docking analysis was conducted to explain the binding modes of both series.

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].

Analysis of the active site reveals the likely binding mode of both l- and d-substrates with respect to key catalytic residues.

Our results revealed significantly different binding modes of these two inhibitors although both established extensive interaction networks with CCR5.

Molecular docking studies were carried out to further investigate the binding modes of Mannich base derivatives with both cholinesterases, and the result was consistent with that of kinetic analysis.

Kinetic experiments show the multiple binding modes of HD1 and NU172, which both interact with multiple sites of thrombin with low nanomolar affinities and show little specificity of interaction for prothrombin vs. thrombin.

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.

The results also show that the binding modes of representative phthalides are reversible and competitive at both MAO isoforms.

Figure 6 shows the predicted binding modes of sunitinib, 7, and 13 15.

Finally, the binding modes of the hit compounds were inspected manually.

Detailed binding modes of 4y with colchicine binding site of tubulin were studied by molecular docking.