Sentence examples for binding mode was generated from inspiring English sources
A possible binding mode was generated via molecular docking simulation and a comparative field analysis (CoMFA) model was constructed to understand the structure-activity relationships.
Two compounds, IMB26 and IMB35, which have been shown to bind to A3G and block degradation by Vif, were docked into the A3G model and the binding modes were generated for further analysis.
In the most frequent binding mode that was generated for core fragment B in the kinases of the docking panel the exocyclic amino group pointed toward the gatekeeper and the nitrogen atom bridging the heterocycles was placed next to the hinge region.
This multiplicity of modes can cause problems in waveguide filters when spurious modes are generated.
The predicted binding mode was confirmed by X-ray crystallography.
The binding mode was proposed from a docking study.
Similar binding mode was observed in MdOS and EGFR kinase.
The binding mode was modelled by molecular docking.
An alternative His/Met binding mode was also investigated.
To ensure that all possible binding modes were explored, early termination of the docking run as a consequence of multiple solutions with the same binding mode was disabled.
By superimposing the binding site of the CRK3 homology model onto the binding site of the relevant crystal structure, an initial binding mode with CRK3 was generated.
